N-[2-methyl-3-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide

C23H22N2O2S — CID 55899537

IUPACN-[2-methyl-3-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide
SMILESCc1ccccc1SCC(=O)Nc1cccc(NC(=O)c2ccccc2)c1C
InChIInChI=1S/C23H22N2O2S/c1-16-9-6-7-14-21(16)28-15-22(26)24-19-12-8-13-20(17(19)2)25-23(27)18-10-4-3-5-11-18/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyOHDXUPOYKYQDIR-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.29
Rot. Bonds6

About N-[2-methyl-3-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide

N-[2-methyl-3-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide (PubChem CID 55899537) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[2-methyl-3-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-methyl-3-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide
PubChem CID55899537
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC NameN-[2-methyl-3-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide
SMILESCc1ccccc1SCC(=O)Nc1cccc(NC(=O)c2ccccc2)c1C
InChIInChI=1S/C23H22N2O2S/c1-16-9-6-7-14-21(16)28-15-22(26)24-19-12-8-13-20(17(19)2)25-23(27)18-10-4-3-5-11-18/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyOHDXUPOYKYQDIR-UHFFFAOYSA-N
XLogP5.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide
CID 31964988
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N-[2-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
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2-(2-methylphenyl)sulfanyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
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CID 79147398
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60891052
2-(2-methylphenyl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide
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N-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 26683495
N-[3-[[2-(benzylamino)-2-oxoethyl]amino]-2-methylphenyl]benzamide
CID 55918836
6-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyridine-3-carboxylic acid
CID 61318371
N-[1-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-yl]-2-methylpropyl]benzamide
CID 4570476

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide?
The IUPAC name of N-[2-methyl-3-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide (CID 55899537) is N-[2-methyl-3-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[2-methyl-3-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[2-methyl-3-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide is Cc1ccccc1SCC(=O)Nc1cccc(NC(=O)c2ccccc2)c1C.
What is the InChIKey of N-[2-methyl-3-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide?
The InChIKey is OHDXUPOYKYQDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-16-9-6-7-14-21(16)28-15-22(26)24-19-12-8-13-20(17(19)2)25-23(27)18-10-4-3-5-11-18/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-methyl-3-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide?
N-[2-methyl-3-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide has a molecular weight of 390.51 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide is sourced from PubChem (CID 55899537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).