3-(2-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)propanamide

C13H18ClNO2S — CID 43390274

IUPAC3-(2-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)propanamide
SMILESCCC(CO)NC(=O)CCSc1ccccc1Cl
InChIInChI=1S/C13H18ClNO2S/c1-2-10(9-16)15-13(17)7-8-18-12-6-4-3-5-11(12)14/h3-6,10,16H,2,7-9H2,1H3,(H,15,17)
InChIKeyINNNVXFGRYONQG-UHFFFAOYSA-N
MW287.81 g/mol
LogP2.71
Rot. Bonds7

About 3-(2-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)propanamide

3-(2-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)propanamide (PubChem CID 43390274) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)propanamide
PubChem CID43390274
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name3-(2-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)propanamide
SMILESCCC(CO)NC(=O)CCSc1ccccc1Cl
InChIInChI=1S/C13H18ClNO2S/c1-2-10(9-16)15-13(17)7-8-18-12-6-4-3-5-11(12)14/h3-6,10,16H,2,7-9H2,1H3,(H,15,17)
InChIKeyINNNVXFGRYONQG-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)sulfanylpropanamide
CID 94336047
3-(2-fluorophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 93041484
N-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide
CID 43390276
N-[(2S)-1-aminopropan-2-yl]-3-(2-chlorophenyl)sulfanylpropanamide;hydrochloride
CID 120505086
(2S)-2-[3-(2-chlorophenyl)sulfanylpropanoylamino]-3-methylbutanoic acid
CID 61137724
2-(2-chlorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103920161
3-(4-fluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920317
(2S,3R)-2-[3-(2-chlorophenyl)sulfanylpropanoylamino]-3-hydroxybutanoic acid
CID 104964640
2-[3-(2-chlorophenyl)sulfanylpropanoylamino]-3-hydroxybutanoic acid
CID 43238727
3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62520657
3-(2-chlorophenyl)sulfanyl-N-methoxypropanamide
CID 60700895
N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide
CID 60624641

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)propanamide?
The IUPAC name of 3-(2-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)propanamide (CID 43390274) is 3-(2-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)propanamide?
The canonical SMILES for 3-(2-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)propanamide is CCC(CO)NC(=O)CCSc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)propanamide?
The InChIKey is INNNVXFGRYONQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-2-10(9-16)15-13(17)7-8-18-12-6-4-3-5-11(12)14/h3-6,10,16H,2,7-9H2,1H3,(H,15,17).
What are the key properties of 3-(2-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)propanamide?
3-(2-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)propanamide has a molecular weight of 287.81 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)propanamide is sourced from PubChem (CID 43390274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).