2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide

C18H29N3O4S — CID 119536771

IUPAC2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide
SMILESCOc1ccc(S(=O)(=O)NC(C(=O)NCCC2CCNC2)C(C)C)cc1
InChIInChI=1S/C18H29N3O4S/c1-13(2)17(18(22)20-11-9-14-8-10-19-12-14)21-26(23,24)16-6-4-15(25-3)5-7-16/h4-7,13-14,17,19,21H,8-12H2,1-3H3,(H,20,22)
InChIKeyQOCPBENYFNIZKZ-UHFFFAOYSA-N
MW383.51 g/mol
LogP1.11
Rot. Bonds9

About 2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide

2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide (PubChem CID 119536771) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide
PubChem CID119536771
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide
SMILESCOc1ccc(S(=O)(=O)NC(C(=O)NCCC2CCNC2)C(C)C)cc1
InChIInChI=1S/C18H29N3O4S/c1-13(2)17(18(22)20-11-9-14-8-10-19-12-14)21-26(23,24)16-6-4-15(25-3)5-7-16/h4-7,13-14,17,19,21H,8-12H2,1-3H3,(H,20,22)
InChIKeyQOCPBENYFNIZKZ-UHFFFAOYSA-N
XLogP1.11
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide 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-methoxyphenyl)sulfonylamino]-3-methyl-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119513298
4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977148
N-[2-(ethylamino)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide;hydrochloride
CID 119508078
(2S)-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 24538272
N-(4-aminocyclohexyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide;hydrochloride
CID 119477705
4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563364
2-[(4-chlorophenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide
CID 119557382
4-ethoxy-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide
CID 119537745
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
CID 29261446
4-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979446
2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535388
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 55940434

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide (CID 119536771) is 2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide is COc1ccc(S(=O)(=O)NC(C(=O)NCCC2CCNC2)C(C)C)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide?
The InChIKey is QOCPBENYFNIZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-13(2)17(18(22)20-11-9-14-8-10-19-12-14)21-26(23,24)16-6-4-15(25-3)5-7-16/h4-7,13-14,17,19,21H,8-12H2,1-3H3,(H,20,22).
What are the key properties of 2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide?
2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide has a molecular weight of 383.51 g/mol, XLogP of 1.11, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide is sourced from PubChem (CID 119536771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).