2-(4-bromophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide

C12H16BrNO2S — CID 43390377

IUPAC2-(4-bromophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
SMILESCCC(CO)NC(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2S/c1-2-10(7-15)14-12(16)8-17-11-5-3-9(13)4-6-11/h3-6,10,15H,2,7-8H2,1H3,(H,14,16)
InChIKeyWCIANPJPWQJNMA-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.43
Rot. Bonds6

About 2-(4-bromophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide

2-(4-bromophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide (PubChem CID 43390377) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
PubChem CID43390377
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
SMILESCCC(CO)NC(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2S/c1-2-10(7-15)14-12(16)8-17-11-5-3-9(13)4-6-11/h3-6,10,15H,2,7-8H2,1H3,(H,14,16)
InChIKeyWCIANPJPWQJNMA-UHFFFAOYSA-N
XLogP2.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390409
2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79031085
methyl 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]butanoate
CID 113252749
2-(4-aminophenyl)sulfanyl-N-pentan-3-ylacetamide
CID 54956909
3-(4-bromophenyl)-N-[(2S)-1-hydroxybutan-2-yl]butanamide
CID 104981313
4-[2-oxo-2-(pentan-3-ylamino)ethyl]sulfanylbenzoic acid
CID 60709345
2-(4-bromophenyl)sulfanyl-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
CID 8707507
methyl (2S)-2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-3-hydroxypropanoate
CID 9277750
methyl (2R,3R)-2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-3-methylpentanoate
CID 9290283
4-bromo-N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104868922
3-(4-fluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920317
2-(4-bromophenyl)sulfanyl-N-(1-phenylbutyl)acetamide
CID 18290915

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide (CID 43390377) is 2-(4-bromophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide is CCC(CO)NC(=O)CSc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide?
The InChIKey is WCIANPJPWQJNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-2-10(7-15)14-12(16)8-17-11-5-3-9(13)4-6-11/h3-6,10,15H,2,7-8H2,1H3,(H,14,16).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide?
2-(4-bromophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide has a molecular weight of 318.24 g/mol, XLogP of 2.43, 6 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-(1-hydroxybutan-2-yl)acetamide is sourced from PubChem (CID 43390377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).