2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide

C18H20ClNOS — CID 99130682

IUPAC2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc(C)c([C@H](C)NC(=O)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClNOS/c1-12-4-5-13(2)17(10-12)14(3)20-18(21)11-22-16-8-6-15(19)7-9-16/h4-10,14H,11H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyXZZTYNHYSDAVQA-AWEZNQCLSA-N
MW333.88 g/mol
LogP4.93
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide

2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide (PubChem CID 99130682) has the molecular formula C18H20ClNOS and a molecular weight of 333.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
PubChem CID99130682
Molecular FormulaC18H20ClNOS
Molecular Weight333.88 g/mol
Exact Mass333.10
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc(C)c([C@H](C)NC(=O)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClNOS/c1-12-4-5-13(2)17(10-12)14(3)20-18(21)11-22-16-8-6-15(19)7-9-16/h4-10,14H,11H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyXZZTYNHYSDAVQA-AWEZNQCLSA-N
XLogP4.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.88
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 132652863
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 99130631
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 53278970
2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 92676888
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 46771387
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94018852
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 99130674
2-(4-chlorophenyl)sulfanyl-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 132652855
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327139
N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-hydroxyphenyl)sulfanylacetamide
CID 55837152
2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26882670
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26882671

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide (CID 99130682) is 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide is Cc1ccc(C)c([C@H](C)NC(=O)CSc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide?
The InChIKey is XZZTYNHYSDAVQA-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20ClNOS/c1-12-4-5-13(2)17(10-12)14(3)20-18(21)11-22-16-8-6-15(19)7-9-16/h4-10,14H,11H2,1-3H3,(H,20,21)/t14-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide has a molecular weight of 333.88 g/mol, XLogP of 4.93, 5 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-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 99130682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).