2-methyl-5-[[(2R)-2-phenylpropyl]sulfonylamino]benzamide

C17H20N2O3S — CID 97070624

IUPAC2-methyl-5-[[(2R)-2-phenylpropyl]sulfonylamino]benzamide
SMILESCc1ccc(NS(=O)(=O)C[C@H](C)c2ccccc2)cc1C(N)=O
InChIInChI=1S/C17H20N2O3S/c1-12-8-9-15(10-16(12)17(18)20)19-23(21,22)11-13(2)14-6-4-3-5-7-14/h3-10,13,19H,11H2,1-2H3,(H2,18,20)/t13-/m0/s1
InChIKeyROBOISXEFZCHPT-ZDUSSCGKSA-N
MW332.43 g/mol
LogP2.64
Rot. Bonds6

About 2-methyl-5-[[(2R)-2-phenylpropyl]sulfonylamino]benzamide

2-methyl-5-[[(2R)-2-phenylpropyl]sulfonylamino]benzamide (PubChem CID 97070624) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-methyl-5-[[(2R)-2-phenylpropyl]sulfonylamino]benzamide.

Molecular Properties

Compound Name2-methyl-5-[[(2R)-2-phenylpropyl]sulfonylamino]benzamide
PubChem CID97070624
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-methyl-5-[[(2R)-2-phenylpropyl]sulfonylamino]benzamide
SMILESCc1ccc(NS(=O)(=O)C[C@H](C)c2ccccc2)cc1C(N)=O
InChIInChI=1S/C17H20N2O3S/c1-12-8-9-15(10-16(12)17(18)20)19-23(21,22)11-13(2)14-6-4-3-5-7-14/h3-10,13,19H,11H2,1-2H3,(H2,18,20)/t13-/m0/s1
InChIKeyROBOISXEFZCHPT-ZDUSSCGKSA-N
XLogP2.64
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-methylphenyl)-2-phenylpropane-1-sulfonamide
CID 80691145
N-(4-aminophenyl)-2-phenylpropane-1-sulfonamide
CID 80685946
N-methyl-N-[4-[[(2R)-2-phenylpropyl]sulfonylamino]phenyl]acetamide
CID 97070621
2-methyl-5-(phenylsulfamoyl)benzamide
CID 870864
N-(4-hydroxy-2-methylphenyl)-2-phenylpropane-1-sulfonamide
CID 80689891
N-[3-(bromomethyl)phenyl]-2-phenylpropane-1-sulfonamide
CID 114298896
5-(2-phenylpropylsulfonylamino)-1H-pyrazole-4-carbothioamide
CID 80690289
N-(6-chloro-3-pyridinyl)-2-phenylpropane-1-sulfonamide
CID 103798273
2-methyl-5-(propylsulfonylamino)benzoic acid
CID 63653698
(2S)-4-amino-4-oxo-2-(2-phenylpropylsulfonylamino)butanoic acid
CID 80690279
2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid
CID 80686315
N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide
CID 80686698

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(2R)-2-phenylpropyl]sulfonylamino]benzamide?
The IUPAC name of 2-methyl-5-[[(2R)-2-phenylpropyl]sulfonylamino]benzamide (CID 97070624) is 2-methyl-5-[[(2R)-2-phenylpropyl]sulfonylamino]benzamide.
What is the SMILES notation for 2-methyl-5-[[(2R)-2-phenylpropyl]sulfonylamino]benzamide?
The canonical SMILES for 2-methyl-5-[[(2R)-2-phenylpropyl]sulfonylamino]benzamide is Cc1ccc(NS(=O)(=O)C[C@H](C)c2ccccc2)cc1C(N)=O.
What is the InChIKey of 2-methyl-5-[[(2R)-2-phenylpropyl]sulfonylamino]benzamide?
The InChIKey is ROBOISXEFZCHPT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12-8-9-15(10-16(12)17(18)20)19-23(21,22)11-13(2)14-6-4-3-5-7-14/h3-10,13,19H,11H2,1-2H3,(H2,18,20)/t13-/m0/s1.
What are the key properties of 2-methyl-5-[[(2R)-2-phenylpropyl]sulfonylamino]benzamide?
2-methyl-5-[[(2R)-2-phenylpropyl]sulfonylamino]benzamide has a molecular weight of 332.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(2R)-2-phenylpropyl]sulfonylamino]benzamide is sourced from PubChem (CID 97070624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).