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

C16H16ClNOS — CID 126184527

IUPACN-(4-chloro-3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C16H16ClNOS/c1-11-3-6-14(7-4-11)20-10-16(19)18-13-5-8-15(17)12(2)9-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyFWNMIHCLOJBGOG-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.69
Rot. Bonds4

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

N-(4-chloro-3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 126184527) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
PubChem CID126184527
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC NameN-(4-chloro-3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C16H16ClNOS/c1-11-3-6-14(7-4-11)20-10-16(19)18-13-5-8-15(17)12(2)9-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyFWNMIHCLOJBGOG-UHFFFAOYSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-chloro-5-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate
CID 38238559
2-(4-amino-3-methylphenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79128491
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79147675
N-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide
CID 46568360
N-(9,10-dioxoanthracen-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 7545109
N-(3-amino-4-methylphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 43376968
N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 3936827
2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 738709
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 892697
3-chloro-N-[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22775712

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide (CID 126184527) is N-(4-chloro-3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)Nc2ccc(Cl)c(C)c2)cc1.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is FWNMIHCLOJBGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c1-11-3-6-14(7-4-11)20-10-16(19)18-13-5-8-15(17)12(2)9-13/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of N-(4-chloro-3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide?
N-(4-chloro-3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 305.83 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 126184527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).