2-(4-chlorophenyl)sulfanyl-N-(4-hydroxypentyl)propanamide

C14H20ClNO2S — CID 107299870

IUPAC2-(4-chlorophenyl)sulfanyl-N-(4-hydroxypentyl)propanamide
SMILESCC(O)CCCNC(=O)C(C)Sc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2S/c1-10(17)4-3-9-16-14(18)11(2)19-13-7-5-12(15)6-8-13/h5-8,10-11,17H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyPLKOZLYVSYZFCF-UHFFFAOYSA-N
MW301.84 g/mol
LogP3.10
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxypentyl)propanamide

2-(4-chlorophenyl)sulfanyl-N-(4-hydroxypentyl)propanamide (PubChem CID 107299870) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxypentyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(4-hydroxypentyl)propanamide
PubChem CID107299870
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(4-hydroxypentyl)propanamide
SMILESCC(O)CCCNC(=O)C(C)Sc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2S/c1-10(17)4-3-9-16-14(18)11(2)19-13-7-5-12(15)6-8-13/h5-8,10-11,17H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyPLKOZLYVSYZFCF-UHFFFAOYSA-N
XLogP3.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-chlorophenyl)sulfanylpropanoylamino]-2-methylbutanoic acid
CID 80538017
(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 2279323
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
CID 99999958
2-(4-chlorophenyl)sulfanyl-N-[3-(2-methoxyethoxy)propyl]propanamide
CID 134029703
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]propanamide
CID 99999476
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 29132971
(2R)-N-[3-(4-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 93488352
(2R)-N-[(2-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 26294215
(2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 848333
2-(2,5-dichlorophenyl)sulfanyl-N-(3-hydroxybutyl)propanamide
CID 111433355
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide
CID 27758314
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 26745796

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxypentyl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxypentyl)propanamide (CID 107299870) is 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxypentyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxypentyl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxypentyl)propanamide is CC(O)CCCNC(=O)C(C)Sc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxypentyl)propanamide?
The InChIKey is PLKOZLYVSYZFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-10(17)4-3-9-16-14(18)11(2)19-13-7-5-12(15)6-8-13/h5-8,10-11,17H,3-4,9H2,1-2H3,(H,16,18).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxypentyl)propanamide?
2-(4-chlorophenyl)sulfanyl-N-(4-hydroxypentyl)propanamide has a molecular weight of 301.84 g/mol, XLogP of 3.10, 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-(4-hydroxypentyl)propanamide is sourced from PubChem (CID 107299870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).