(2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide

C16H16BrNOS — CID 126133104

IUPAC(2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@@H](C)C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrNOS/c1-11-3-9-15(10-4-11)20-12(2)16(19)18-14-7-5-13(17)6-8-14/h3-10,12H,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyGBYLWAOAAPQLOL-LBPRGKRZSA-N
MW350.28 g/mol
LogP4.88
Rot. Bonds4

About (2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide

(2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 126133104) has the molecular formula C16H16BrNOS and a molecular weight of 350.28 g/mol. Its IUPAC name is (2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID126133104
Molecular FormulaC16H16BrNOS
Molecular Weight350.28 g/mol
Exact Mass349.01
IUPAC Name(2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@@H](C)C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrNOS/c1-11-3-9-15(10-4-11)20-12(2)16(19)18-14-7-5-13(17)6-8-14/h3-10,12H,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyGBYLWAOAAPQLOL-LBPRGKRZSA-N
XLogP4.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
(2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 7553826
(2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide
CID 7785397
(2S)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfanylphenyl)propanamide
CID 9180009
(2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide
CID 2561528
N-(4-iodophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2943102
4-[2-(4-bromophenyl)sulfanylpropanoylamino]benzamide
CID 16554795
4-[[(2S)-2-(4-bromophenyl)sulfanylpropanoyl]amino]benzamide
CID 7785394
(2R)-N-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 6927703
(2S)-N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 1255894
2-(4-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 2978000
(2S)-2-(4-methylphenyl)sulfanyl-N-(4-nitrophenyl)propanamide
CID 7375379

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide (CID 126133104) is (2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of (2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is GBYLWAOAAPQLOL-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16BrNOS/c1-11-3-9-15(10-4-11)20-12(2)16(19)18-14-7-5-13(17)6-8-14/h3-10,12H,1-2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide?
(2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 350.28 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 126133104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).