(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide

C17H19BrN2O3S — CID 41373401

IUPAC(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H19BrN2O3S/c1-11-8-12(2)10-15(9-11)19-17(21)13(3)20-24(22,23)16-6-4-14(18)5-7-16/h4-10,13,20H,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyNXRCKUGHIAOYOD-ZDUSSCGKSA-N
MW411.32 g/mol
LogP3.37
Rot. Bonds5

About (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide

(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide (PubChem CID 41373401) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
PubChem CID41373401
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC Name(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H19BrN2O3S/c1-11-8-12(2)10-15(9-11)19-17(21)13(3)20-24(22,23)16-6-4-14(18)5-7-16/h4-10,13,20H,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyNXRCKUGHIAOYOD-ZDUSSCGKSA-N
XLogP3.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)propanamide
CID 4657987
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 41330953
(2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
CID 41330687
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 50740332
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide
CID 41330979
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)propanamide
CID 40616001
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide
CID 41168290
(2R)-N-(4-bromo-2-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 41331452
N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
CID 3660205
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
CID 41330822
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
CID 41330824

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide?
The IUPAC name of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide (CID 41373401) is (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide?
The canonical SMILES for (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide is Cc1cc(C)cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide?
The InChIKey is NXRCKUGHIAOYOD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-11-8-12(2)10-15(9-11)19-17(21)13(3)20-24(22,23)16-6-4-14(18)5-7-16/h4-10,13,20H,1-3H3,(H,19,21)/t13-/m0/s1.
What are the key properties of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide?
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide has a molecular weight of 411.32 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide is sourced from PubChem (CID 41373401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).