N-(3-acetylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide

C18H19NO2S — CID 2591501

IUPACN-(3-acetylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
SMILESCC(=O)c1cccc(NC(=O)CSc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H19NO2S/c1-12-7-8-17(9-13(12)2)22-11-18(21)19-16-6-4-5-15(10-16)14(3)20/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyYHRXWFWGHMFUHO-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.24
Rot. Bonds5

About N-(3-acetylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide

N-(3-acetylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide (PubChem CID 2591501) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
PubChem CID2591501
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC NameN-(3-acetylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
SMILESCC(=O)c1cccc(NC(=O)CSc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H19NO2S/c1-12-7-8-17(9-13(12)2)22-11-18(21)19-16-6-4-5-15(10-16)14(3)20/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyYHRXWFWGHMFUHO-UHFFFAOYSA-N
XLogP4.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-(4-tert-butylphenyl)sulfanylacetamide
CID 2969914
N-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 36553979
N-(3,4-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712476
N-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 18907359
4-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 2674334
2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 9095730
N,N-dimethyl-3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 32849543
3-[(2-naphthalen-2-ylsulfanylacetyl)amino]benzoic acid
CID 45425864
N-(3-acetamidophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide
CID 46769269
N,N-dimethyl-3-[[2-(3-methylphenyl)sulfanylacetyl]amino]benzamide
CID 60594436
ethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate
CID 9228238
N-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902751

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide (CID 2591501) is N-(3-acetylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide is CC(=O)c1cccc(NC(=O)CSc2ccc(C)c(C)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide?
The InChIKey is YHRXWFWGHMFUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-12-7-8-17(9-13(12)2)22-11-18(21)19-16-6-4-5-15(10-16)14(3)20/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of N-(3-acetylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide?
N-(3-acetylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide has a molecular weight of 313.42 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 2591501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).