N-(3,4-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide

C23H23N3O2S — CID 19712476

IUPACN-(3,4-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccc(NC(=O)Nc3ccccc3)cc2)cc1C
InChIInChI=1S/C23H23N3O2S/c1-16-8-9-20(14-17(16)2)24-22(27)15-29-21-12-10-19(11-13-21)26-23(28)25-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,27)(H2,25,26,28)
InChIKeyLWDCJJKZJHAZLC-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.68
Rot. Bonds6

About N-(3,4-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide

N-(3,4-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide (PubChem CID 19712476) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
PubChem CID19712476
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-(3,4-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccc(NC(=O)Nc3ccccc3)cc2)cc1C
InChIInChI=1S/C23H23N3O2S/c1-16-8-9-20(14-17(16)2)24-22(27)15-29-21-12-10-19(11-13-21)26-23(28)25-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,27)(H2,25,26,28)
InChIKeyLWDCJJKZJHAZLC-UHFFFAOYSA-N
XLogP5.68
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712455
N-(3-methylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712480
N-(2,6-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712494
2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 19712457
N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 1244966
N-(3-acetylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2591501
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042
N-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 18907359
N-(3,4-dimethylphenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide
CID 2377822
N-(4-methyl-3-nitrophenyl)-2-phenylsulfanylacetamide
CID 2206801
N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755203
N-(4-iodophenyl)-2-phenylsulfanylacetamide
CID 2889258

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide (CID 19712476) is N-(3,4-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide is Cc1ccc(NC(=O)CSc2ccc(NC(=O)Nc3ccccc3)cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide?
The InChIKey is LWDCJJKZJHAZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-16-8-9-20(14-17(16)2)24-22(27)15-29-21-12-10-19(11-13-21)26-23(28)25-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,27)(H2,25,26,28).
What are the key properties of N-(3,4-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide?
N-(3,4-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide has a molecular weight of 405.52 g/mol, XLogP of 5.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide is sourced from PubChem (CID 19712476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).