2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide

C20H24ClNOS — CID 133162697

IUPAC2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide
SMILESCCc1ccc(CC)c(CNC(=O)C(C)Sc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H24ClNOS/c1-4-15-6-7-16(5-2)17(12-15)13-22-20(23)14(3)24-19-10-8-18(21)9-11-19/h6-12,14H,4-5,13H2,1-3H3,(H,22,23)
InChIKeyBFWPTQIEUZNRFD-UHFFFAOYSA-N
MW361.94 g/mol
LogP5.26
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide

2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide (PubChem CID 133162697) has the molecular formula C20H24ClNOS and a molecular weight of 361.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide
PubChem CID133162697
Molecular FormulaC20H24ClNOS
Molecular Weight361.94 g/mol
Exact Mass361.13
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide
SMILESCCc1ccc(CC)c(CNC(=O)C(C)Sc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H24ClNOS/c1-4-15-6-7-16(5-2)17(12-15)13-22-20(23)14(3)24-19-10-8-18(21)9-11-19/h6-12,14H,4-5,13H2,1-3H3,(H,22,23)
InChIKeyBFWPTQIEUZNRFD-UHFFFAOYSA-N
XLogP5.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.94
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide
CID 100746008
(2R)-N-[(2-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 26294215
(2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 848333
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 26745796
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 46621783
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxyphenyl)methyl]propanamide
CID 92676037
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 6546874
N-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)sulfanylpropanamide
CID 60594314
2-(4-chlorophenyl)sulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide
CID 55669732
(2R)-2-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 99864872
2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide
CID 55707876
4-[2-(4-chlorophenyl)sulfanylpropanoylamino]-2-methylbutanoic acid
CID 80538017

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide (CID 133162697) is 2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide is CCc1ccc(CC)c(CNC(=O)C(C)Sc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide?
The InChIKey is BFWPTQIEUZNRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNOS/c1-4-15-6-7-16(5-2)17(12-15)13-22-20(23)14(3)24-19-10-8-18(21)9-11-19/h6-12,14H,4-5,13H2,1-3H3,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide?
2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide has a molecular weight of 361.94 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide is sourced from PubChem (CID 133162697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).