N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide

C19H22ClNO2S — CID 112814079

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)NCC(O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C19H22ClNO2S/c1-13-3-8-17(11-14(13)2)24-10-9-19(23)21-12-18(22)15-4-6-16(20)7-5-15/h3-8,11,18,22H,9-10,12H2,1-2H3,(H,21,23)
InChIKeySSQAJLFTPWXWJE-UHFFFAOYSA-N
MW363.91 g/mol
LogP4.29
Rot. Bonds7

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide (PubChem CID 112814079) has the molecular formula C19H22ClNO2S and a molecular weight of 363.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide
PubChem CID112814079
Molecular FormulaC19H22ClNO2S
Molecular Weight363.91 g/mol
Exact Mass363.11
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)NCC(O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C19H22ClNO2S/c1-13-3-8-17(11-14(13)2)24-10-9-19(23)21-12-18(22)15-4-6-16(20)7-5-15/h3-8,11,18,22H,9-10,12H2,1-2H3,(H,21,23)
InChIKeySSQAJLFTPWXWJE-UHFFFAOYSA-N
XLogP4.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylphenyl)sulfanyl-N-(3-hydroxy-2-methylpropyl)propanamide
CID 65034689
3-(3,4-dimethylphenyl)sulfanyl-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120832196
3-(3,4-dimethylphenyl)sulfanyl-N-(4-hydroxypentyl)propanamide
CID 107300545
N-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 119629181
3-(4-chlorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 102914732
3-(3,4-dimethylphenyl)sulfanyl-N-[(E)-pent-3-enyl]propanamide
CID 115628128
N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide
CID 86076853
N-[(2R)-butan-2-yl]-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 94006127
3-(3,4-dimethylphenyl)sulfanyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 78790855
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 110885410
2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 110888960
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide
CID 97227769

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide (CID 112814079) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide is Cc1ccc(SCCC(=O)NCC(O)c2ccc(Cl)cc2)cc1C.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide?
The InChIKey is SSQAJLFTPWXWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2S/c1-13-3-8-17(11-14(13)2)24-10-9-19(23)21-12-18(22)15-4-6-16(20)7-5-15/h3-8,11,18,22H,9-10,12H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide has a molecular weight of 363.91 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide is sourced from PubChem (CID 112814079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).