1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-N-ethyl-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-sulfonamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanoic acid

C147H228N12O15S5 — CID 159051469

IUPAC1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-N-ethyl-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-sulfonamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanoic acid
SMILESCCNS(=O)(=O)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n(CC2CCCCC2)c1C.Cc1c(S(=O)(=O)NC2COC2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1CC1CCCCC1.Cc1c(S(=O)(=O)NCCC(=O)O)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1CC1CCCCC1.Cc1c(S(=O)(=O)NCCC(N)=O)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1CC1CCCCC1.Cc1c(S(=O)(=O)NCCN2CCOCC2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1CC1CCCCC1
InChIInChI=1S/C32H51N3O3S.C29H45N3O3S.C29H44N2O4S.C29H44N2O3S.C28H44N2O2S/c1-24-30(39(36,37)33-13-14-34-15-17-38-18-16-34)22-29(35(24)23-25-11-9-8-10-12-25)26-19-27(31(2,3)4)21-28(20-26)32(5,6)7;1-20-26(36(34,35)31-14-13-27(30)33)18-25(32(20)19-21-11-9-8-10-12-21)22-15-23(28(2,3)4)17-24(16-22)29(5,6)7;1-20-26(36(34,35)30-14-13-27(32)33)18-25(31(20)19-21-11-9-8-10-12-21)22-15-23(28(2,3)4)17-24(16-22)29(5,6)7;1-20-27(35(32,33)30-25-18-34-19-25)16-26(31(20)17-21-11-9-8-10-12-21)22-13-23(28(2,3)4)15-24(14-22)29(5,6)7;1-9-29-33(31,32)26-18-25(30(20(26)2)19-21-13-11-10-12-14-21)22-15-23(27(3,4)5)17-24(16-22)28(6,7)8/h19-22,25,33H,8-18,23H2,1-7H3;15-18,21,31H,8-14,19H2,1-7H3,(H2,30,33);15-18,21,30H,8-14,19H2,1-7H3,(H,32,33);13-16,21,25,30H,8-12,17-19H2,1-7H3;15-18,21,29H,9-14,19H2,1-8H3
InChIKeyJXHXMIDKQFFGJU-UHFFFAOYSA-N
MW2563.84 g/mol
LogP31.69
Rot. Bonds36

About 1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-N-ethyl-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-sulfonamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanoic acid

1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-N-ethyl-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-sulfonamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanoic acid (PubChem CID 159051469) has the molecular formula C147H228N12O15S5 and a molecular weight of 2563.84 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-N-ethyl-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-sulfonamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanoic acid.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-N-ethyl-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-sulfonamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanoic acid
PubChem CID159051469
Molecular FormulaC147H228N12O15S5
Molecular Weight2563.84 g/mol
Exact Mass2561.61
IUPAC Name1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-N-ethyl-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-sulfonamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanoic acid
SMILESCCNS(=O)(=O)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n(CC2CCCCC2)c1C.Cc1c(S(=O)(=O)NC2COC2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1CC1CCCCC1.Cc1c(S(=O)(=O)NCCC(=O)O)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1CC1CCCCC1.Cc1c(S(=O)(=O)NCCC(N)=O)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1CC1CCCCC1.Cc1c(S(=O)(=O)NCCN2CCOCC2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1CC1CCCCC1
InChIInChI=1S/C32H51N3O3S.C29H45N3O3S.C29H44N2O4S.C29H44N2O3S.C28H44N2O2S/c1-24-30(39(36,37)33-13-14-34-15-17-38-18-16-34)22-29(35(24)23-25-11-9-8-10-12-25)26-19-27(31(2,3)4)21-28(20-26)32(5,6)7;1-20-26(36(34,35)31-14-13-27(30)33)18-25(32(20)19-21-11-9-8-10-12-21)22-15-23(28(2,3)4)17-24(16-22)29(5,6)7;1-20-26(36(34,35)30-14-13-27(32)33)18-25(31(20)19-21-11-9-8-10-12-21)22-15-23(28(2,3)4)17-24(16-22)29(5,6)7;1-20-27(35(32,33)30-25-18-34-19-25)16-26(31(20)17-21-11-9-8-10-12-21)22-13-23(28(2,3)4)15-24(14-22)29(5,6)7;1-9-29-33(31,32)26-18-25(30(20(26)2)19-21-13-11-10-12-14-21)22-15-23(27(3,4)5)17-24(16-22)28(6,7)8/h19-22,25,33H,8-18,23H2,1-7H3;15-18,21,31H,8-14,19H2,1-7H3,(H2,30,33);15-18,21,30H,8-14,19H2,1-7H3,(H,32,33);13-16,21,25,30H,8-12,17-19H2,1-7H3;15-18,21,29H,9-14,19H2,1-8H3
InChIKeyJXHXMIDKQFFGJU-UHFFFAOYSA-N
XLogP31.69
TPSA357.59 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds36
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002563.84
LogP ≤ 531.69
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Analyze 1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-N-ethyl-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-sulfonamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-N-ethyl-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-sulfonamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanoic acid?
The IUPAC name of 1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-N-ethyl-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-sulfonamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanoic acid (CID 159051469) is 1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-N-ethyl-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-sulfonamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanoic acid.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-N-ethyl-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-sulfonamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanoic acid?
The canonical SMILES for 1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-N-ethyl-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-sulfonamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanoic acid is CCNS(=O)(=O)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n(CC2CCCCC2)c1C.Cc1c(S(=O)(=O)NC2COC2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1CC1CCCCC1.Cc1c(S(=O)(=O)NCCC(=O)O)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1CC1CCCCC1.Cc1c(S(=O)(=O)NCCC(N)=O)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1CC1CCCCC1.Cc1c(S(=O)(=O)NCCN2CCOCC2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-N-ethyl-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-sulfonamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanoic acid?
The InChIKey is JXHXMIDKQFFGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H51N3O3S.C29H45N3O3S.C29H44N2O4S.C29H44N2O3S.C28H44N2O2S/c1-24-30(39(36,37)33-13-14-34-15-17-38-18-16-34)22-29(35(24)23-25-11-9-8-10-12-25)26-19-27(31(2,3)4)21-28(20-26)32(5,6)7;1-20-26(36(34,35)31-14-13-27(30)33)18-25(32(20)19-21-11-9-8-10-12-21)22-15-23(28(2,3)4)17-24(16-22)29(5,6)7;1-20-26(36(34,35)30-14-13-27(32)33)18-25(31(20)19-21-11-9-8-10-12-21)22-15-23(28(2,3)4)17-24(16-22)29(5,6)7;1-20-27(35(32,33)30-25-18-34-19-25)16-26(31(20)17-21-11-9-8-10-12-21)22-13-23(28(2,3)4)15-24(14-22)29(5,6)7;1-9-29-33(31,32)26-18-25(30(20(26)2)19-21-13-11-10-12-14-21)22-15-23(27(3,4)5)17-24(16-22)28(6,7)8/h19-22,25,33H,8-18,23H2,1-7H3;15-18,21,31H,8-14,19H2,1-7H3,(H2,30,33);15-18,21,30H,8-14,19H2,1-7H3,(H,32,33);13-16,21,25,30H,8-12,17-19H2,1-7H3;15-18,21,29H,9-14,19H2,1-8H3.
What are the key properties of 1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-N-ethyl-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-sulfonamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanoic acid?
1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-N-ethyl-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-sulfonamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanoic acid has a molecular weight of 2563.84 g/mol, XLogP of 31.69, 36 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-N-ethyl-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-sulfonamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanoic acid is sourced from PubChem (CID 159051469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).