4-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide

C19H22N2O2S — CID 2674334

IUPAC4-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
SMILESCc1ccc(SCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1C
InChIInChI=1S/C19H22N2O2S/c1-13-5-10-17(11-14(13)2)24-12-18(22)20-16-8-6-15(7-9-16)19(23)21(3)4/h5-11H,12H2,1-4H3,(H,20,22)
InChIKeyZAMDYZXIHYRRBP-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.74
Rot. Bonds5

About 4-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide

4-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide (PubChem CID 2674334) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 4-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
PubChem CID2674334
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name4-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
SMILESCc1ccc(SCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1C
InChIInChI=1S/C19H22N2O2S/c1-13-5-10-17(11-14(13)2)24-12-18(22)20-16-8-6-15(7-9-16)19(23)21(3)4/h5-11H,12H2,1-4H3,(H,20,22)
InChIKeyZAMDYZXIHYRRBP-UHFFFAOYSA-N
XLogP3.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 2674343
4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 7847490
4-[[2-(2,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 2616464
2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 7456554
N-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 36553979
N-(3-acetylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2591501
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
N,N-dimethyl-3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 32849543
2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79147675
N-(3,4-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712476
N,N-dimethyl-3-[[2-(3-methylphenyl)sulfanylacetyl]amino]benzamide
CID 60594436
4-[[2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylbenzamide
CID 9105285

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide (CID 2674334) is 4-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide is Cc1ccc(SCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1C.
What is the InChIKey of 4-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is ZAMDYZXIHYRRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-13-5-10-17(11-14(13)2)24-12-18(22)20-16-8-6-15(7-9-16)19(23)21(3)4/h5-11H,12H2,1-4H3,(H,20,22).
What are the key properties of 4-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide?
4-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 342.46 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 2674334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).