2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride

C17H28ClN3O4S — CID 119790374

IUPAC2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1.Cl
InChIInChI=1S/C17H27N3O4S.ClH/c1-4-9-17(2,18)16(21)19-13-7-8-15(14(12-13)24-3)25(22,23)20-10-5-6-11-20;/h7-8,12H,4-6,9-11,18H2,1-3H3,(H,19,21);1H
InChIKeyKXUFPFICJQEEQH-UHFFFAOYSA-N
MW405.95 g/mol
LogP2.36
Rot. Bonds7

About 2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride

2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride (PubChem CID 119790374) has the molecular formula C17H28ClN3O4S and a molecular weight of 405.95 g/mol. Its IUPAC name is 2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride
PubChem CID119790374
Molecular FormulaC17H28ClN3O4S
Molecular Weight405.95 g/mol
Exact Mass405.15
IUPAC Name2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1.Cl
InChIInChI=1S/C17H27N3O4S.ClH/c1-4-9-17(2,18)16(21)19-13-7-8-15(14(12-13)24-3)25(22,23)20-10-5-6-11-20;/h7-8,12H,4-6,9-11,18H2,1-3H3,(H,19,21);1H
InChIKeyKXUFPFICJQEEQH-UHFFFAOYSA-N
XLogP2.36
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride 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-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylpentanamide
CID 119677476
2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide
CID 119687733
2-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride
CID 119677515
2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride
CID 119327459
2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpentanamide;hydrochloride
CID 119724605
3-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119327443
4-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride
CID 120562885
5-bromo-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-3-carboxamide
CID 167936199
N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)morpholine-2-carboxamide
CID 119790367
2-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pentanamide
CID 119864454
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methylpentanamide
CID 60928269

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride (CID 119790374) is 2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1.Cl.
What is the InChIKey of 2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride?
The InChIKey is KXUFPFICJQEEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S.ClH/c1-4-9-17(2,18)16(21)19-13-7-8-15(14(12-13)24-3)25(22,23)20-10-5-6-11-20;/h7-8,12H,4-6,9-11,18H2,1-3H3,(H,19,21);1H.
What are the key properties of 2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride?
2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride has a molecular weight of 405.95 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119790374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).