(2R)-2-(4-bromophenyl)-2-hydroxy-N-[(2S)-4-methylsulfanylbutan-2-yl]acetamide

C13H18BrNO2S — CID 97250851

IUPAC(2R)-2-(4-bromophenyl)-2-hydroxy-N-[(2S)-4-methylsulfanylbutan-2-yl]acetamide
SMILESCSCC[C@H](C)NC(=O)[C@H](O)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO2S/c1-9(7-8-18-2)15-13(17)12(16)10-3-5-11(14)6-4-10/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)/t9-,12+/m0/s1
InChIKeyRRLBICNBLYSMRZ-JOYOIKCWSA-N
MW332.26 g/mol
LogP2.74
Rot. Bonds6

About (2R)-2-(4-bromophenyl)-2-hydroxy-N-[(2S)-4-methylsulfanylbutan-2-yl]acetamide

(2R)-2-(4-bromophenyl)-2-hydroxy-N-[(2S)-4-methylsulfanylbutan-2-yl]acetamide (PubChem CID 97250851) has the molecular formula C13H18BrNO2S and a molecular weight of 332.26 g/mol. Its IUPAC name is (2R)-2-(4-bromophenyl)-2-hydroxy-N-[(2S)-4-methylsulfanylbutan-2-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-(4-bromophenyl)-2-hydroxy-N-[(2S)-4-methylsulfanylbutan-2-yl]acetamide
PubChem CID97250851
Molecular FormulaC13H18BrNO2S
Molecular Weight332.26 g/mol
Exact Mass331.02
IUPAC Name(2R)-2-(4-bromophenyl)-2-hydroxy-N-[(2S)-4-methylsulfanylbutan-2-yl]acetamide
SMILESCSCC[C@H](C)NC(=O)[C@H](O)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO2S/c1-9(7-8-18-2)15-13(17)12(16)10-3-5-11(14)6-4-10/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)/t9-,12+/m0/s1
InChIKeyRRLBICNBLYSMRZ-JOYOIKCWSA-N
XLogP2.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 129841181
N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-3-methoxypropanamide
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1-[2-(4-bromophenyl)-2-hydroxyacetyl]-N-ethylazetidine-3-carboxamide
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2-(4-bromophenyl)-2-hydroxy-N-[2-(oxan-2-yl)ethyl]acetamide
CID 75518879
2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-methylacetamide
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2-(4-Bromophenyl)-2-hydroxy-N-methyl-acetamide
CID 555718
N-((R)-2-Hydroxy-2-phenyl)acetyl-Lys-boroMet
CID 74765677
2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-(4-hydroxycyclohexyl)-N-methylacetamide
CID 24878241
N-butyl-N(2)-[(R)-2-hydroxy-2-phenylacetyl]-L-cysteinamide
CID 56927760
N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-methylsulfanylbutanamide
CID 109620371
N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-3,3,3-trifluoropropanamide
CID 112362781
N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-methylsulfanylbutanamide
CID 112363391

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenyl)-2-hydroxy-N-[(2S)-4-methylsulfanylbutan-2-yl]acetamide?
The IUPAC name of (2R)-2-(4-bromophenyl)-2-hydroxy-N-[(2S)-4-methylsulfanylbutan-2-yl]acetamide (CID 97250851) is (2R)-2-(4-bromophenyl)-2-hydroxy-N-[(2S)-4-methylsulfanylbutan-2-yl]acetamide.
What is the SMILES notation for (2R)-2-(4-bromophenyl)-2-hydroxy-N-[(2S)-4-methylsulfanylbutan-2-yl]acetamide?
The canonical SMILES for (2R)-2-(4-bromophenyl)-2-hydroxy-N-[(2S)-4-methylsulfanylbutan-2-yl]acetamide is CSCC[C@H](C)NC(=O)[C@H](O)c1ccc(Br)cc1.
What is the InChIKey of (2R)-2-(4-bromophenyl)-2-hydroxy-N-[(2S)-4-methylsulfanylbutan-2-yl]acetamide?
The InChIKey is RRLBICNBLYSMRZ-JOYOIKCWSA-N. The full InChI is InChI=1S/C13H18BrNO2S/c1-9(7-8-18-2)15-13(17)12(16)10-3-5-11(14)6-4-10/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)/t9-,12+/m0/s1.
What are the key properties of (2R)-2-(4-bromophenyl)-2-hydroxy-N-[(2S)-4-methylsulfanylbutan-2-yl]acetamide?
(2R)-2-(4-bromophenyl)-2-hydroxy-N-[(2S)-4-methylsulfanylbutan-2-yl]acetamide has a molecular weight of 332.26 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenyl)-2-hydroxy-N-[(2S)-4-methylsulfanylbutan-2-yl]acetamide is sourced from PubChem (CID 97250851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).