2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide

C11H14BrNO2S — CID 79031085

IUPAC2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide
SMILESC[C@H](CO)NC(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2S/c1-8(6-14)13-11(15)7-16-10-4-2-9(12)3-5-10/h2-5,8,14H,6-7H2,1H3,(H,13,15)/t8-/m1/s1
InChIKeyIJMIQQKNAZXGBD-MRVPVSSYSA-N
MW304.21 g/mol
LogP2.04
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide

2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide (PubChem CID 79031085) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide
PubChem CID79031085
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide
SMILESC[C@H](CO)NC(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2S/c1-8(6-14)13-11(15)7-16-10-4-2-9(12)3-5-10/h2-5,8,14H,6-7H2,1H3,(H,13,15)/t8-/m1/s1
InChIKeyIJMIQQKNAZXGBD-MRVPVSSYSA-N
XLogP2.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide
CID 79031593
2-(4-bromophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390377
methyl (2S)-2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-3-hydroxypropanoate
CID 9277750
2-(4-bromophenyl)sulfanyl-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
CID 8707507
methyl (2R,3R)-2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-3-methylpentanoate
CID 9290283
methyl 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]butanoate
CID 113252749
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1-hydroxypropan-2-yl)acetamide
CID 43418672
2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 1278156
N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide
CID 722549
3-[[2-(4-methylphenyl)sulfanylacetyl]amino]butanoic acid
CID 43240777
2-(4-bromophenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43390574
2-(4-bromophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide
CID 66176868

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide (CID 79031085) is 2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide is C[C@H](CO)NC(=O)CSc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
The InChIKey is IJMIQQKNAZXGBD-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-8(6-14)13-11(15)7-16-10-4-2-9(12)3-5-10/h2-5,8,14H,6-7H2,1H3,(H,13,15)/t8-/m1/s1.
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide has a molecular weight of 304.21 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide is sourced from PubChem (CID 79031085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).