3-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylpentyl)propanamide

C15H22ClNO2S — CID 103712971

IUPAC3-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylpentyl)propanamide
SMILESCCCC(C)(O)CNC(=O)CCSc1ccccc1Cl
InChIInChI=1S/C15H22ClNO2S/c1-3-9-15(2,19)11-17-14(18)8-10-20-13-7-5-4-6-12(13)16/h4-7,19H,3,8-11H2,1-2H3,(H,17,18)
InChIKeyBZEBDDYGZHDJIO-UHFFFAOYSA-N
MW315.87 g/mol
LogP3.49
Rot. Bonds8

About 3-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylpentyl)propanamide

3-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylpentyl)propanamide (PubChem CID 103712971) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylpentyl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylpentyl)propanamide
PubChem CID103712971
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC Name3-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylpentyl)propanamide
SMILESCCCC(C)(O)CNC(=O)CCSc1ccccc1Cl
InChIInChI=1S/C15H22ClNO2S/c1-3-9-15(2,19)11-17-14(18)8-10-20-13-7-5-4-6-12(13)16/h4-7,19H,3,8-11H2,1-2H3,(H,17,18)
InChIKeyBZEBDDYGZHDJIO-UHFFFAOYSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66170018
3-(3,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpentyl)propanamide
CID 103713015
3-(2-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide;hydrochloride
CID 119500451
2-[[3-(2-chlorophenyl)sulfanylpropanoylamino]methyl]-3-methylbutanoic acid
CID 65219946
N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)sulfanylpropanamide
CID 94336047
2-[[2-[3-(2-chlorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid
CID 43387535
3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62520657
3-(2-chlorophenyl)sulfanyl-N-methoxypropanamide
CID 60700895
3-(2-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)propanamide
CID 43390274
N'-[3-(2-chlorophenyl)sulfanylpropanoyl]-2-methylpropanehydrazide
CID 78786049
3-(2-chlorophenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120944601
3-(2-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 2712554

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylpentyl)propanamide?
The IUPAC name of 3-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylpentyl)propanamide (CID 103712971) is 3-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylpentyl)propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylpentyl)propanamide?
The canonical SMILES for 3-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylpentyl)propanamide is CCCC(C)(O)CNC(=O)CCSc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylpentyl)propanamide?
The InChIKey is BZEBDDYGZHDJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2S/c1-3-9-15(2,19)11-17-14(18)8-10-20-13-7-5-4-6-12(13)16/h4-7,19H,3,8-11H2,1-2H3,(H,17,18).
What are the key properties of 3-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylpentyl)propanamide?
3-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylpentyl)propanamide has a molecular weight of 315.87 g/mol, XLogP of 3.49, 8 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-(2-hydroxy-2-methylpentyl)propanamide is sourced from PubChem (CID 103712971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).