N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide

C17H18ClNOS — CID 18288638

IUPACN-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2cccc(Cl)c2C)cc1C
InChIInChI=1S/C17H18ClNOS/c1-11-7-8-14(9-12(11)2)21-10-17(20)19-16-6-4-5-15(18)13(16)3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyWYRLIXURZQDHAR-UHFFFAOYSA-N
MW319.86 g/mol
LogP5.00
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide

N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide (PubChem CID 18288638) has the molecular formula C17H18ClNOS and a molecular weight of 319.86 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
PubChem CID18288638
Molecular FormulaC17H18ClNOS
Molecular Weight319.86 g/mol
Exact Mass319.08
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2cccc(Cl)c2C)cc1C
InChIInChI=1S/C17H18ClNOS/c1-11-7-8-14(9-12(11)2)21-10-17(20)19-16-6-4-5-15(18)13(16)3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyWYRLIXURZQDHAR-UHFFFAOYSA-N
XLogP5.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2708525
2-(2-amino-6-chlorophenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 43304715
3-chloro-N-[3-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18904756
N-(2-cyanophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2708526
N-[3-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902740
N-(2-chloro-5-nitrophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2591556
2,3,4,5-tetrachloro-6-[[3-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18895912
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2085859
2-(2-amino-4-methylphenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 43302526
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 22781306
2-(5-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 2541105

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide (CID 18288638) is N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)Nc2cccc(Cl)c2C)cc1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide?
The InChIKey is WYRLIXURZQDHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNOS/c1-11-7-8-14(9-12(11)2)21-10-17(20)19-16-6-4-5-15(18)13(16)3/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide?
N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide has a molecular weight of 319.86 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 18288638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).