N-[(2-ethoxyphenyl)methyl]-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide

C23H33N3O4S — CID 20958573

IUPACN-[(2-ethoxyphenyl)methyl]-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide
SMILESCCOc1ccccc1CNS(=O)(=O)c1c(C(=O)N2CCC(C)CC2)c(C)n(C)c1C
InChIInChI=1S/C23H33N3O4S/c1-6-30-20-10-8-7-9-19(20)15-24-31(28,29)22-18(4)25(5)17(3)21(22)23(27)26-13-11-16(2)12-14-26/h7-10,16,24H,6,11-15H2,1-5H3
InChIKeyGYVSPNIMKIJXIX-UHFFFAOYSA-N
MW447.60 g/mol
LogP3.39
Rot. Bonds7

About N-[(2-ethoxyphenyl)methyl]-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide

N-[(2-ethoxyphenyl)methyl]-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide (PubChem CID 20958573) has the molecular formula C23H33N3O4S and a molecular weight of 447.60 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide
PubChem CID20958573
Molecular FormulaC23H33N3O4S
Molecular Weight447.60 g/mol
Exact Mass447.22
IUPAC NameN-[(2-ethoxyphenyl)methyl]-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide
SMILESCCOc1ccccc1CNS(=O)(=O)c1c(C(=O)N2CCC(C)CC2)c(C)n(C)c1C
InChIInChI=1S/C23H33N3O4S/c1-6-30-20-10-8-7-9-19(20)15-24-31(28,29)22-18(4)25(5)17(3)21(22)23(27)26-13-11-16(2)12-14-26/h7-10,16,24H,6,11-15H2,1-5H3
InChIKeyGYVSPNIMKIJXIX-UHFFFAOYSA-N
XLogP3.39
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-ethoxyphenyl)methyl]-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide 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

N-(2-ethoxyphenyl)-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20958556
N-[(2-ethoxyphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777735
1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)pyrrole-3-sulfonamide
CID 20958535
[4-(4-benzylpiperidin-1-yl)sulfonyl-1,2,5-trimethylpyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 20958540
N-[(4-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945312
[4-ethoxy-1-[(2-methylphenyl)methyl]indol-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 42667282
N-[(2-methylphenyl)methyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109063474
2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 78760389
2-ethoxy-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521882
ethyl 4-[(2,5-dimethoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
CID 20927356
(2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 142823511
1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]pyrrole-3-sulfonamide
CID 20945277

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide (CID 20958573) is N-[(2-ethoxyphenyl)methyl]-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide is CCOc1ccccc1CNS(=O)(=O)c1c(C(=O)N2CCC(C)CC2)c(C)n(C)c1C.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide?
The InChIKey is GYVSPNIMKIJXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4S/c1-6-30-20-10-8-7-9-19(20)15-24-31(28,29)22-18(4)25(5)17(3)21(22)23(27)26-13-11-16(2)12-14-26/h7-10,16,24H,6,11-15H2,1-5H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide?
N-[(2-ethoxyphenyl)methyl]-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide has a molecular weight of 447.60 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 20958573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).