[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate

C30H32N2O7S — CID 4836840

IUPAC[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate
SMILESCOc1cc2c(cc1NS(=O)(=O)c1cccc(C(=O)OC(C)C(=O)N(C)C3CCCCC3)c1)oc1ccccc12
InChIInChI=1S/C30H32N2O7S/c1-19(29(33)32(2)21-11-5-4-6-12-21)38-30(34)20-10-9-13-22(16-20)40(35,36)31-25-18-27-24(17-28(25)37-3)23-14-7-8-15-26(23)39-27/h7-10,13-19,21,31H,4-6,11-12H2,1-3H3
InChIKeyBCBCWGRSEOEZQH-UHFFFAOYSA-N
MW564.66 g/mol
LogP5.73
Rot. Bonds8

About [1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate

[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate (PubChem CID 4836840) has the molecular formula C30H32N2O7S and a molecular weight of 564.66 g/mol. Its IUPAC name is [1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate
PubChem CID4836840
Molecular FormulaC30H32N2O7S
Molecular Weight564.66 g/mol
Exact Mass564.19
IUPAC Name[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate
SMILESCOc1cc2c(cc1NS(=O)(=O)c1cccc(C(=O)OC(C)C(=O)N(C)C3CCCCC3)c1)oc1ccccc12
InChIInChI=1S/C30H32N2O7S/c1-19(29(33)32(2)21-11-5-4-6-12-21)38-30(34)20-10-9-13-22(16-20)40(35,36)31-25-18-27-24(17-28(25)37-3)23-14-7-8-15-26(23)39-27/h7-10,13-19,21,31H,4-6,11-12H2,1-3H3
InChIKeyBCBCWGRSEOEZQH-UHFFFAOYSA-N
XLogP5.73
TPSA115.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.66
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate with MolForge

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

Launch Full Analysis

Related Compounds

[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate
CID 2543889
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-[(2-chlorophenyl)sulfamoyl]benzoate
CID 4987416
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-(dimethylamino)benzoate
CID 41152870
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
CID 3996422
methyl 2-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate
CID 2457012
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 98383221
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 2450054
propan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 35468470
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 40972763
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 3563761
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717571
(2R)-2-(azepan-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2462122

Frequently Asked Questions

What is the IUPAC name of [1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate?
The IUPAC name of [1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate (CID 4836840) is [1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate.
What is the SMILES notation for [1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate?
The canonical SMILES for [1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate is COc1cc2c(cc1NS(=O)(=O)c1cccc(C(=O)OC(C)C(=O)N(C)C3CCCCC3)c1)oc1ccccc12.
What is the InChIKey of [1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate?
The InChIKey is BCBCWGRSEOEZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O7S/c1-19(29(33)32(2)21-11-5-4-6-12-21)38-30(34)20-10-9-13-22(16-20)40(35,36)31-25-18-27-24(17-28(25)37-3)23-14-7-8-15-26(23)39-27/h7-10,13-19,21,31H,4-6,11-12H2,1-3H3.
What are the key properties of [1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate?
[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate has a molecular weight of 564.66 g/mol, XLogP of 5.73, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate is sourced from PubChem (CID 4836840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).