2-(4-chlorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)propanamide

C15H22ClNO2S — CID 103945568

IUPAC2-(4-chlorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)propanamide
SMILESCCC(C)(CCO)NC(=O)C(C)Sc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO2S/c1-4-15(3,9-10-18)17-14(19)11(2)20-13-7-5-12(16)6-8-13/h5-8,11,18H,4,9-10H2,1-3H3,(H,17,19)
InChIKeyQIBPKPPVQNTKRU-UHFFFAOYSA-N
MW315.87 g/mol
LogP3.49
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)propanamide

2-(4-chlorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)propanamide (PubChem CID 103945568) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)propanamide
PubChem CID103945568
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)propanamide
SMILESCCC(C)(CCO)NC(=O)C(C)Sc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO2S/c1-4-15(3,9-10-18)17-14(19)11(2)20-13-7-5-12(16)6-8-13/h5-8,11,18H,4,9-10H2,1-3H3,(H,17,19)
InChIKeyQIBPKPPVQNTKRU-UHFFFAOYSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride
CID 119569128
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103945880
(E)-3-(4-chlorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide
CID 103946118
2-(4-chlorophenyl)sulfanyl-N-methoxypropanamide
CID 60701143
N-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide
CID 4003837
(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 2279323
(2R)-N-[(2-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 26294215
(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 883001
2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103801450
4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002687
2-(4-chlorophenyl)sulfanyl-N-(4-hydroxypentyl)propanamide
CID 107299870
4-[2-(4-chlorophenyl)sulfanylpropanoylamino]-2-methylbutanoic acid
CID 80538017

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)propanamide (CID 103945568) is 2-(4-chlorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)propanamide is CCC(C)(CCO)NC(=O)C(C)Sc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)propanamide?
The InChIKey is QIBPKPPVQNTKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2S/c1-4-15(3,9-10-18)17-14(19)11(2)20-13-7-5-12(16)6-8-13/h5-8,11,18H,4,9-10H2,1-3H3,(H,17,19).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)propanamide?
2-(4-chlorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)propanamide has a molecular weight of 315.87 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)propanamide is sourced from PubChem (CID 103945568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).