N-(2,6-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide

C23H23N3O2S — CID 19712494

IUPACN-(2,6-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
SMILESCc1cccc(C)c1NC(=O)CSc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H23N3O2S/c1-16-7-6-8-17(2)22(16)26-21(27)15-29-20-13-11-19(12-14-20)25-23(28)24-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3,(H,26,27)(H2,24,25,28)
InChIKeyRWKQXMDYDPCGBC-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.68
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide

N-(2,6-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide (PubChem CID 19712494) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
PubChem CID19712494
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
SMILESCc1cccc(C)c1NC(=O)CSc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H23N3O2S/c1-16-7-6-8-17(2)22(16)26-21(27)15-29-20-13-11-19(12-14-20)25-23(28)24-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3,(H,26,27)(H2,24,25,28)
InChIKeyRWKQXMDYDPCGBC-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-(3,4-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712476
N-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 22777048
N-(2,6-dimethylphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19316362
N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 1244966
N-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide
CID 22780289
2-(4-amino-3-methylphenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 79128316
2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 19712457
N-[(Z)-1-(2-chlorophenyl)-3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 21384025
N-(2,6-dimethylphenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide
CID 26619662
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide (CID 19712494) is N-(2,6-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide is Cc1cccc(C)c1NC(=O)CSc1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide?
The InChIKey is RWKQXMDYDPCGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-16-7-6-8-17(2)22(16)26-21(27)15-29-20-13-11-19(12-14-20)25-23(28)24-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3,(H,26,27)(H2,24,25,28).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide?
N-(2,6-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-(2,6-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide is sourced from PubChem (CID 19712494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).