N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide

C21H19N3O2S — CID 19712455

IUPACN-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
SMILESO=C(CSc1ccc(NC(=O)Nc2ccccc2)cc1)Nc1ccccc1
InChIInChI=1S/C21H19N3O2S/c25-20(22-16-7-3-1-4-8-16)15-27-19-13-11-18(12-14-19)24-21(26)23-17-9-5-2-6-10-17/h1-14H,15H2,(H,22,25)(H2,23,24,26)
InChIKeyWJJIASLHYJJOKI-UHFFFAOYSA-N
MW377.47 g/mol
LogP5.06
Rot. Bonds6

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

N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide (PubChem CID 19712455) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
PubChem CID19712455
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
SMILESO=C(CSc1ccc(NC(=O)Nc2ccccc2)cc1)Nc1ccccc1
InChIInChI=1S/C21H19N3O2S/c25-20(22-16-7-3-1-4-8-16)15-27-19-13-11-18(12-14-19)24-21(26)23-17-9-5-2-6-10-17/h1-14H,15H2,(H,22,25)(H2,23,24,26)
InChIKeyWJJIASLHYJJOKI-UHFFFAOYSA-N
XLogP5.06
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.47
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide 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-(3-methylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712480
N-(3,4-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712476
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-(4-iodophenyl)-2-phenylsulfanylacetamide
CID 2889258
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041
N-(4-fluorophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712820
N-(4-iodophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712821
N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 22775721
2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 1332250
methyl 4-[(2-phenylsulfanylacetyl)amino]benzoate
CID 807677

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide?
The IUPAC name of N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide (CID 19712455) is N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide.
What is the SMILES notation for N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide?
The canonical SMILES for N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide is O=C(CSc1ccc(NC(=O)Nc2ccccc2)cc1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide?
The InChIKey is WJJIASLHYJJOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c25-20(22-16-7-3-1-4-8-16)15-27-19-13-11-18(12-14-19)24-21(26)23-17-9-5-2-6-10-17/h1-14H,15H2,(H,22,25)(H2,23,24,26).
What are the key properties of N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide?
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide has a molecular weight of 377.47 g/mol, XLogP of 5.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide is sourced from PubChem (CID 19712455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).