2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-methyl-5-sulfamoylphenyl)acetamide;hydrochloride

C19H25ClN4O3S — CID 120761946

IUPAC2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-methyl-5-sulfamoylphenyl)acetamide;hydrochloride
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)CN1C[C@@H](N)[C@H](c2ccccc2)C1.Cl
InChIInChI=1S/C19H24N4O3S.ClH/c1-13-7-8-15(27(21,25)26)9-18(13)22-19(24)12-23-10-16(17(20)11-23)14-5-3-2-4-6-14;/h2-9,16-17H,10-12,20H2,1H3,(H,22,24)(H2,21,25,26);1H/t16-,17+;/m0./s1
InChIKeyQDJZKAJSSWJKHL-MCJVGQIASA-N
MW424.95 g/mol
LogP1.43
Rot. Bonds5

About 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-methyl-5-sulfamoylphenyl)acetamide;hydrochloride

2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-methyl-5-sulfamoylphenyl)acetamide;hydrochloride (PubChem CID 120761946) has the molecular formula C19H25ClN4O3S and a molecular weight of 424.95 g/mol. Its IUPAC name is 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-methyl-5-sulfamoylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-methyl-5-sulfamoylphenyl)acetamide;hydrochloride
PubChem CID120761946
Molecular FormulaC19H25ClN4O3S
Molecular Weight424.95 g/mol
Exact Mass424.13
IUPAC Name2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-methyl-5-sulfamoylphenyl)acetamide;hydrochloride
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)CN1C[C@@H](N)[C@H](c2ccccc2)C1.Cl
InChIInChI=1S/C19H24N4O3S.ClH/c1-13-7-8-15(27(21,25)26)9-18(13)22-19(24)12-23-10-16(17(20)11-23)14-5-3-2-4-6-14;/h2-9,16-17H,10-12,20H2,1H3,(H,22,24)(H2,21,25,26);1H/t16-,17+;/m0./s1
InChIKeyQDJZKAJSSWJKHL-MCJVGQIASA-N
XLogP1.43
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 120761700
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 120762166
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-bromophenyl)acetamide;hydrochloride
CID 120760737
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120761400
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 120761401
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride
CID 120761426
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide;hydrochloride
CID 120760232
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide;dihydrochloride
CID 120762116
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 120760515
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 120760615
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 120761267
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 120761039

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-methyl-5-sulfamoylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-methyl-5-sulfamoylphenyl)acetamide;hydrochloride (CID 120761946) is 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-methyl-5-sulfamoylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-methyl-5-sulfamoylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-methyl-5-sulfamoylphenyl)acetamide;hydrochloride is Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1C[C@@H](N)[C@H](c2ccccc2)C1.Cl.
What is the InChIKey of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-methyl-5-sulfamoylphenyl)acetamide;hydrochloride?
The InChIKey is QDJZKAJSSWJKHL-MCJVGQIASA-N. The full InChI is InChI=1S/C19H24N4O3S.ClH/c1-13-7-8-15(27(21,25)26)9-18(13)22-19(24)12-23-10-16(17(20)11-23)14-5-3-2-4-6-14;/h2-9,16-17H,10-12,20H2,1H3,(H,22,24)(H2,21,25,26);1H/t16-,17+;/m0./s1.
What are the key properties of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-methyl-5-sulfamoylphenyl)acetamide;hydrochloride?
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-methyl-5-sulfamoylphenyl)acetamide;hydrochloride has a molecular weight of 424.95 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-methyl-5-sulfamoylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120761946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).