(2S)-N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide

C17H19FN2O3S — CID 29283920

IUPAC(2S)-N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESCc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)c1C
InChIInChI=1S/C17H19FN2O3S/c1-11-5-4-6-16(12(11)2)19-17(21)13(3)20-24(22,23)15-9-7-14(18)8-10-15/h4-10,13,20H,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyMTNVRPNJFPTBKM-ZDUSSCGKSA-N
MW350.42 g/mol
LogP2.75
Rot. Bonds5

About (2S)-N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide

(2S)-N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide (PubChem CID 29283920) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is (2S)-N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
PubChem CID29283920
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name(2S)-N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESCc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)c1C
InChIInChI=1S/C17H19FN2O3S/c1-11-5-4-6-16(12(11)2)19-17(21)13(3)20-24(22,23)15-9-7-14(18)8-10-15/h4-10,13,20H,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyMTNVRPNJFPTBKM-ZDUSSCGKSA-N
XLogP2.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
CID 41330822
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
CID 41330824
N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3256191
(2S)-N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 7924414
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)propanamide
CID 40616001
(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide
CID 41083467
(2S)-2-(benzenesulfonamido)-N-(3-chloro-2-methylphenyl)propanamide
CID 41330887
methyl 3-[[(2S)-2-[(4-fluorophenyl)sulfonylamino]propanoyl]amino]-4-methylbenzoate
CID 9378165
(2S)-N-(2,4-dichlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 7366747
(2S)-N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 42561544
(2S)-N-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 2224879
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylphenyl)-3-phenylpropanamide
CID 28540720

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide (CID 29283920) is (2S)-N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide is Cc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)c1C.
What is the InChIKey of (2S)-N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide?
The InChIKey is MTNVRPNJFPTBKM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-11-5-4-6-16(12(11)2)19-17(21)13(3)20-24(22,23)15-9-7-14(18)8-10-15/h4-10,13,20H,1-3H3,(H,19,21)/t13-/m0/s1.
What are the key properties of (2S)-N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide?
(2S)-N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide has a molecular weight of 350.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 29283920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).