(2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide

C21H18Br2N2O3S — CID 98302323

IUPAC(2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide
SMILESO=C(Nc1ccc(Br)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C21H18Br2N2O3S/c22-16-6-10-18(11-7-16)24-21(26)20(14-15-4-2-1-3-5-15)25-29(27,28)19-12-8-17(23)9-13-19/h1-13,20,25H,14H2,(H,24,26)/t20-/m0/s1
InChIKeyAVHCJOBCCSNGBC-FQEVSTJZSA-N
MW538.26 g/mol
LogP4.74
Rot. Bonds7

About (2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide

(2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 98302323) has the molecular formula C21H18Br2N2O3S and a molecular weight of 538.26 g/mol. Its IUPAC name is (2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID98302323
Molecular FormulaC21H18Br2N2O3S
Molecular Weight538.26 g/mol
Exact Mass535.94
IUPAC Name(2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide
SMILESO=C(Nc1ccc(Br)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C21H18Br2N2O3S/c22-16-6-10-18(11-7-16)24-21(26)20(14-15-4-2-1-3-5-15)25-29(27,28)19-12-8-17(23)9-13-19/h1-13,20,25H,14H2,(H,24,26)/t20-/m0/s1
InChIKeyAVHCJOBCCSNGBC-FQEVSTJZSA-N
XLogP4.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.26
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)-3-phenylpropanamide
CID 94534114
methyl 3-[4-[[(2R)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanoyl]amino]phenyl]propanoate
CID 54050966
(2S)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540814
(2R)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide
CID 40931965
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
CID 124583658
(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(4-sulfamoylphenyl)propanamide
CID 41374475
(2S)-N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 1208444
(2R)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540829
N-(4-ethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3913906
N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891489
(2S)-N-(3-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540838
2-[(4-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)-3-phenylpropanamide
CID 5108228

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of (2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide (CID 98302323) is (2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for (2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide is O=C(Nc1ccc(Br)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of (2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is AVHCJOBCCSNGBC-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H18Br2N2O3S/c22-16-6-10-18(11-7-16)24-21(26)20(14-15-4-2-1-3-5-15)25-29(27,28)19-12-8-17(23)9-13-19/h1-13,20,25H,14H2,(H,24,26)/t20-/m0/s1.
What are the key properties of (2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide?
(2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 538.26 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 98302323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).