2-[(2-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid

C16H22N2O5S — CID 119223642

IUPAC2-[(2-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid
SMILESCCC(NC(=O)c1ccccc1S(=O)(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C16H22N2O5S/c1-2-13(16(20)21)17-15(19)12-8-4-5-9-14(12)24(22,23)18-10-6-3-7-11-18/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,17,19)(H,20,21)
InChIKeyPZAMUCVHWRCLRC-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.45
Rot. Bonds6

About 2-[(2-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid

2-[(2-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid (PubChem CID 119223642) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-[(2-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(2-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid
PubChem CID119223642
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name2-[(2-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid
SMILESCCC(NC(=O)c1ccccc1S(=O)(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C16H22N2O5S/c1-2-13(16(20)21)17-15(19)12-8-4-5-9-14(12)24(22,23)18-10-6-3-7-11-18/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,17,19)(H,20,21)
InChIKeyPZAMUCVHWRCLRC-UHFFFAOYSA-N
XLogP1.45
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-methyl-2-[(2-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid
CID 119364001
2-[(2-propylsulfonylbenzoyl)amino]butanoic acid
CID 119224038
3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 119177170
2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]butanoic acid
CID 119223538
N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 78794594
N-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119627285
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55798245
N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26119072
2-(azetidin-1-ylsulfonyl)benzoic acid
CID 43440231
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 95772173
N-(2-phenoxyethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 33250445
2-[[2-(propylsulfonylamino)benzoyl]amino]butanoic acid
CID 120523197

Frequently Asked Questions

What is the IUPAC name of 2-[(2-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid?
The IUPAC name of 2-[(2-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid (CID 119223642) is 2-[(2-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid.
What is the SMILES notation for 2-[(2-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid?
The canonical SMILES for 2-[(2-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid is CCC(NC(=O)c1ccccc1S(=O)(=O)N1CCCCC1)C(=O)O.
What is the InChIKey of 2-[(2-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid?
The InChIKey is PZAMUCVHWRCLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-2-13(16(20)21)17-15(19)12-8-4-5-9-14(12)24(22,23)18-10-6-3-7-11-18/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[(2-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid?
2-[(2-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid has a molecular weight of 354.43 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid is sourced from PubChem (CID 119223642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).