N-[4-amino-5-(3-chlorophenyl)-2-oxo-1-pyrrolidin-2-ylpentyl]-2-methylsulfonylbenzamide

C23H28ClN3O4S — CID 69254267

IUPACN-[4-amino-5-(3-chlorophenyl)-2-oxo-1-pyrrolidin-2-ylpentyl]-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)NC(C(=O)CC(N)Cc1cccc(Cl)c1)C1CCCN1
InChIInChI=1S/C23H28ClN3O4S/c1-32(30,31)21-10-3-2-8-18(21)23(29)27-22(19-9-5-11-26-19)20(28)14-17(25)13-15-6-4-7-16(24)12-15/h2-4,6-8,10,12,17,19,22,26H,5,9,11,13-14,25H2,1H3,(H,27,29)
InChIKeyDOCZAQHAPKUKKB-UHFFFAOYSA-N
MW478.01 g/mol
LogP2.12
Rot. Bonds9

About N-[4-amino-5-(3-chlorophenyl)-2-oxo-1-pyrrolidin-2-ylpentyl]-2-methylsulfonylbenzamide

N-[4-amino-5-(3-chlorophenyl)-2-oxo-1-pyrrolidin-2-ylpentyl]-2-methylsulfonylbenzamide (PubChem CID 69254267) has the molecular formula C23H28ClN3O4S and a molecular weight of 478.01 g/mol. Its IUPAC name is N-[4-amino-5-(3-chlorophenyl)-2-oxo-1-pyrrolidin-2-ylpentyl]-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-amino-5-(3-chlorophenyl)-2-oxo-1-pyrrolidin-2-ylpentyl]-2-methylsulfonylbenzamide
PubChem CID69254267
Molecular FormulaC23H28ClN3O4S
Molecular Weight478.01 g/mol
Exact Mass477.15
IUPAC NameN-[4-amino-5-(3-chlorophenyl)-2-oxo-1-pyrrolidin-2-ylpentyl]-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)NC(C(=O)CC(N)Cc1cccc(Cl)c1)C1CCCN1
InChIInChI=1S/C23H28ClN3O4S/c1-32(30,31)21-10-3-2-8-18(21)23(29)27-22(19-9-5-11-26-19)20(28)14-17(25)13-15-6-4-7-16(24)12-15/h2-4,6-8,10,12,17,19,22,26H,5,9,11,13-14,25H2,1H3,(H,27,29)
InChIKeyDOCZAQHAPKUKKB-UHFFFAOYSA-N
XLogP2.12
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.01
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[(2R)-1-(3-chlorophenyl)-4-[(2S)-2-[[(2-methylsulfonylbenzoyl)amino]methyl]pyrrolidin-1-yl]-4-oxobutan-2-yl]carbamate;(3R)-4-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2-methylsulfonyl-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
CID 162188174
prop-1-en-2-yl N-[(2R)-1-(3-chlorophenyl)-4-[(2S)-2-[[(2-methylsulfonylbenzoyl)amino]methyl]pyrrolidin-1-yl]-4-oxobutan-2-yl]carbamate
CID 70335494
N-[[(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-3-methylsulfonylbenzamide
CID 42608447
3-amino-4-(3-chlorophenyl)-1-[(2R)-2-ethylpyrrolidin-1-yl]butan-1-one
CID 143059775
N-[2-(3-chlorophenyl)ethyl]-2-propan-2-ylsulfonylbenzamide
CID 39932239
methyl 4-amino-5-(3-chlorophenyl)pentanoate
CID 62962583
1-(3-chlorophenyl)-4-methylsulfonylbutan-2-amine
CID 62606260
2-methylsulfonyl-N-pentan-3-ylbenzamide
CID 16625808
2-(3-chlorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106609550
methyl (2R)-3-phenyl-2-[(2R)-piperidin-2-yl]propanoate
CID 10490732
1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 122557133
methyl (2R)-2-(3-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate
CID 23928172

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-5-(3-chlorophenyl)-2-oxo-1-pyrrolidin-2-ylpentyl]-2-methylsulfonylbenzamide?
The IUPAC name of N-[4-amino-5-(3-chlorophenyl)-2-oxo-1-pyrrolidin-2-ylpentyl]-2-methylsulfonylbenzamide (CID 69254267) is N-[4-amino-5-(3-chlorophenyl)-2-oxo-1-pyrrolidin-2-ylpentyl]-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[4-amino-5-(3-chlorophenyl)-2-oxo-1-pyrrolidin-2-ylpentyl]-2-methylsulfonylbenzamide?
The canonical SMILES for N-[4-amino-5-(3-chlorophenyl)-2-oxo-1-pyrrolidin-2-ylpentyl]-2-methylsulfonylbenzamide is CS(=O)(=O)c1ccccc1C(=O)NC(C(=O)CC(N)Cc1cccc(Cl)c1)C1CCCN1.
What is the InChIKey of N-[4-amino-5-(3-chlorophenyl)-2-oxo-1-pyrrolidin-2-ylpentyl]-2-methylsulfonylbenzamide?
The InChIKey is DOCZAQHAPKUKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4S/c1-32(30,31)21-10-3-2-8-18(21)23(29)27-22(19-9-5-11-26-19)20(28)14-17(25)13-15-6-4-7-16(24)12-15/h2-4,6-8,10,12,17,19,22,26H,5,9,11,13-14,25H2,1H3,(H,27,29).
What are the key properties of N-[4-amino-5-(3-chlorophenyl)-2-oxo-1-pyrrolidin-2-ylpentyl]-2-methylsulfonylbenzamide?
N-[4-amino-5-(3-chlorophenyl)-2-oxo-1-pyrrolidin-2-ylpentyl]-2-methylsulfonylbenzamide has a molecular weight of 478.01 g/mol, XLogP of 2.12, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-5-(3-chlorophenyl)-2-oxo-1-pyrrolidin-2-ylpentyl]-2-methylsulfonylbenzamide is sourced from PubChem (CID 69254267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).