N,N-dimethyl-3-[[2-(3-methylphenyl)sulfanylacetyl]amino]benzamide

C18H20N2O2S — CID 60594436

IUPACN,N-dimethyl-3-[[2-(3-methylphenyl)sulfanylacetyl]amino]benzamide
SMILESCc1cccc(SCC(=O)Nc2cccc(C(=O)N(C)C)c2)c1
InChIInChI=1S/C18H20N2O2S/c1-13-6-4-9-16(10-13)23-12-17(21)19-15-8-5-7-14(11-15)18(22)20(2)3/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeyCDWWRYUJCAVQPY-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.43
Rot. Bonds5

About N,N-dimethyl-3-[[2-(3-methylphenyl)sulfanylacetyl]amino]benzamide

N,N-dimethyl-3-[[2-(3-methylphenyl)sulfanylacetyl]amino]benzamide (PubChem CID 60594436) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N,N-dimethyl-3-[[2-(3-methylphenyl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[2-(3-methylphenyl)sulfanylacetyl]amino]benzamide
PubChem CID60594436
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN,N-dimethyl-3-[[2-(3-methylphenyl)sulfanylacetyl]amino]benzamide
SMILESCc1cccc(SCC(=O)Nc2cccc(C(=O)N(C)C)c2)c1
InChIInChI=1S/C18H20N2O2S/c1-13-6-4-9-16(10-13)23-12-17(21)19-15-8-5-7-14(11-15)18(22)20(2)3/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeyCDWWRYUJCAVQPY-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-3-[[2-(3-methylphenyl)sulfanylacetyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 32849543
3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 35042935
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042
3-[[2-(2-bromophenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 35309767
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
N,N-dimethyl-3-[[2-(3-methylbutan-2-ylsulfanyl)acetyl]amino]benzamide
CID 75374320
4-[2-(3-methylanilino)-2-oxoethyl]sulfanylbenzoic acid
CID 28513538
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 32908676
N,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide
CID 54819069
N-[3-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906826
3-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 29331419
N,N-dimethyl-3-[[2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 55526170

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[2-(3-methylphenyl)sulfanylacetyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-3-[[2-(3-methylphenyl)sulfanylacetyl]amino]benzamide (CID 60594436) is N,N-dimethyl-3-[[2-(3-methylphenyl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[2-(3-methylphenyl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[2-(3-methylphenyl)sulfanylacetyl]amino]benzamide is Cc1cccc(SCC(=O)Nc2cccc(C(=O)N(C)C)c2)c1.
What is the InChIKey of N,N-dimethyl-3-[[2-(3-methylphenyl)sulfanylacetyl]amino]benzamide?
The InChIKey is CDWWRYUJCAVQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13-6-4-9-16(10-13)23-12-17(21)19-15-8-5-7-14(11-15)18(22)20(2)3/h4-11H,12H2,1-3H3,(H,19,21).
What are the key properties of N,N-dimethyl-3-[[2-(3-methylphenyl)sulfanylacetyl]amino]benzamide?
N,N-dimethyl-3-[[2-(3-methylphenyl)sulfanylacetyl]amino]benzamide has a molecular weight of 328.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[2-(3-methylphenyl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 60594436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).