2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide

C17H27N4O4S+ — CID 8531388

IUPAC2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCC[NH+]2CCCC2)cc1
InChIInChI=1S/C17H26N4O4S/c1-14(22)19-15-5-7-16(8-6-15)26(24,25)20(2)13-17(23)18-9-12-21-10-3-4-11-21/h5-8H,3-4,9-13H2,1-2H3,(H,18,23)(H,19,22)/p+1
InChIKeyPEIPIIIOQHNLNA-UHFFFAOYSA-O
MW383.49 g/mol
LogP-0.94
Rot. Bonds8

About 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide (PubChem CID 8531388) has the molecular formula C17H27N4O4S+ and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide
PubChem CID8531388
Molecular FormulaC17H27N4O4S+
Molecular Weight383.49 g/mol
Exact Mass383.17
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCC[NH+]2CCCC2)cc1
InChIInChI=1S/C17H26N4O4S/c1-14(22)19-15-5-7-16(8-6-15)26(24,25)20(2)13-17(23)18-9-12-21-10-3-4-11-21/h5-8H,3-4,9-13H2,1-2H3,(H,18,23)(H,19,22)/p+1
InChIKeyPEIPIIIOQHNLNA-UHFFFAOYSA-O
XLogP-0.94
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide 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

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(3-piperidin-1-ium-1-ylpropyl)acetamide
CID 9405951
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(cyclopropylmethyl)acetamide
CID 43047270
2-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]-N,N-dimethylacetamide
CID 55378326
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylethyl)acetamide
CID 9482978
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 9365795
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 2640186
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120827176
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316906
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 9087746
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(2S)-1-aminopropan-2-yl]acetamide
CID 120505509
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119458682
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 26102306

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide (CID 8531388) is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCC[NH+]2CCCC2)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide?
The InChIKey is PEIPIIIOQHNLNA-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H26N4O4S/c1-14(22)19-15-5-7-16(8-6-15)26(24,25)20(2)13-17(23)18-9-12-21-10-3-4-11-21/h5-8H,3-4,9-13H2,1-2H3,(H,18,23)(H,19,22)/p+1.
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide?
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide has a molecular weight of 383.49 g/mol, XLogP of -0.94, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide is sourced from PubChem (CID 8531388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).