N-(3-chlorophenyl)-2-[methyl-[2-(2-methylphenyl)sulfanylacetyl]amino]acetamide

C18H19ClN2O2S — CID 38644459

IUPACN-(3-chlorophenyl)-2-[methyl-[2-(2-methylphenyl)sulfanylacetyl]amino]acetamide
SMILESCc1ccccc1SCC(=O)N(C)CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O2S/c1-13-6-3-4-9-16(13)24-12-18(23)21(2)11-17(22)20-15-8-5-7-14(19)10-15/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyKFOGMANVSAKRQH-UHFFFAOYSA-N
MW362.88 g/mol
LogP3.84
Rot. Bonds6

About N-(3-chlorophenyl)-2-[methyl-[2-(2-methylphenyl)sulfanylacetyl]amino]acetamide

N-(3-chlorophenyl)-2-[methyl-[2-(2-methylphenyl)sulfanylacetyl]amino]acetamide (PubChem CID 38644459) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[methyl-[2-(2-methylphenyl)sulfanylacetyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[methyl-[2-(2-methylphenyl)sulfanylacetyl]amino]acetamide
PubChem CID38644459
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC NameN-(3-chlorophenyl)-2-[methyl-[2-(2-methylphenyl)sulfanylacetyl]amino]acetamide
SMILESCc1ccccc1SCC(=O)N(C)CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O2S/c1-13-6-3-4-9-16(13)24-12-18(23)21(2)11-17(22)20-15-8-5-7-14(19)10-15/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyKFOGMANVSAKRQH-UHFFFAOYSA-N
XLogP3.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-(2-methylphenyl)sulfanylacetyl]amino]acetamide
CID 9438210
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide
CID 119294381
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119294380
2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9011910
(2R)-2-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119294392
N-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922768
2-chloro-N-[3-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-3-oxo-1-phenylpropyl]benzamide
CID 55653915
N-(3-chlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287939
N-(4-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide
CID 16520353
2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2536523
N-(3-methoxyphenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
CID 8682208
N-(2,6-dimethylphenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide
CID 26619662

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[methyl-[2-(2-methylphenyl)sulfanylacetyl]amino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[methyl-[2-(2-methylphenyl)sulfanylacetyl]amino]acetamide (CID 38644459) is N-(3-chlorophenyl)-2-[methyl-[2-(2-methylphenyl)sulfanylacetyl]amino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[methyl-[2-(2-methylphenyl)sulfanylacetyl]amino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[methyl-[2-(2-methylphenyl)sulfanylacetyl]amino]acetamide is Cc1ccccc1SCC(=O)N(C)CC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[methyl-[2-(2-methylphenyl)sulfanylacetyl]amino]acetamide?
The InChIKey is KFOGMANVSAKRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c1-13-6-3-4-9-16(13)24-12-18(23)21(2)11-17(22)20-15-8-5-7-14(19)10-15/h3-10H,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-(3-chlorophenyl)-2-[methyl-[2-(2-methylphenyl)sulfanylacetyl]amino]acetamide?
N-(3-chlorophenyl)-2-[methyl-[2-(2-methylphenyl)sulfanylacetyl]amino]acetamide has a molecular weight of 362.88 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[methyl-[2-(2-methylphenyl)sulfanylacetyl]amino]acetamide is sourced from PubChem (CID 38644459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).