N-(4-amino-3-chlorophenyl)-N'-(2-phenylsulfanylphenyl)oxamide

C20H16ClN3O2S — CID 108515097

IUPACN-(4-amino-3-chlorophenyl)-N'-(2-phenylsulfanylphenyl)oxamide
SMILESNc1ccc(NC(=O)C(=O)Nc2ccccc2Sc2ccccc2)cc1Cl
InChIInChI=1S/C20H16ClN3O2S/c21-15-12-13(10-11-16(15)22)23-19(25)20(26)24-17-8-4-5-9-18(17)27-14-6-2-1-3-7-14/h1-12H,22H2,(H,23,25)(H,24,26)
InChIKeySDHSIYKFHRHXAI-UHFFFAOYSA-N
MW397.89 g/mol
LogP4.65
Rot. Bonds4

About N-(4-amino-3-chlorophenyl)-N'-(2-phenylsulfanylphenyl)oxamide

N-(4-amino-3-chlorophenyl)-N'-(2-phenylsulfanylphenyl)oxamide (PubChem CID 108515097) has the molecular formula C20H16ClN3O2S and a molecular weight of 397.89 g/mol. Its IUPAC name is N-(4-amino-3-chlorophenyl)-N'-(2-phenylsulfanylphenyl)oxamide.

Molecular Properties

Compound NameN-(4-amino-3-chlorophenyl)-N'-(2-phenylsulfanylphenyl)oxamide
PubChem CID108515097
Molecular FormulaC20H16ClN3O2S
Molecular Weight397.89 g/mol
Exact Mass397.07
IUPAC NameN-(4-amino-3-chlorophenyl)-N'-(2-phenylsulfanylphenyl)oxamide
SMILESNc1ccc(NC(=O)C(=O)Nc2ccccc2Sc2ccccc2)cc1Cl
InChIInChI=1S/C20H16ClN3O2S/c21-15-12-13(10-11-16(15)22)23-19(25)20(26)24-17-8-4-5-9-18(17)27-14-6-2-1-3-7-14/h1-12H,22H2,(H,23,25)(H,24,26)
InChIKeySDHSIYKFHRHXAI-UHFFFAOYSA-N
XLogP4.65
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.89
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108501172
N'-(3,5-dichlorophenyl)-N-(2-phenylsulfanylphenyl)oxamide
CID 108515224
N-(3,4-dimethylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515146
N-(4-amino-3-chlorophenyl)-N'-benzhydryloxamide
CID 108507997
N-(4-nitrophenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108513105
N-(4-amino-3-chlorophenyl)-N'-(2,4-dichlorophenyl)oxamide
CID 108502772
N'-(2-chloro-4,6-dimethylphenyl)-N-(2-phenylsulfanylphenyl)oxamide
CID 108515250
(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-(2-phenylsulfanylanilino)prop-2-enamide
CID 108821753
N-(2-chloro-3-pyridinyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515125
(4-amino-3-chlorophenyl)carbamic acid
CID 18543733
N-(4-amino-3-chlorophenyl)-N'-(5-chloro-2-hydroxyphenyl)oxamide
CID 108515977
N'-(4-amino-3-chlorophenyl)-N-(3-fluorophenyl)oxamide
CID 108516241

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-chlorophenyl)-N'-(2-phenylsulfanylphenyl)oxamide?
The IUPAC name of N-(4-amino-3-chlorophenyl)-N'-(2-phenylsulfanylphenyl)oxamide (CID 108515097) is N-(4-amino-3-chlorophenyl)-N'-(2-phenylsulfanylphenyl)oxamide.
What is the SMILES notation for N-(4-amino-3-chlorophenyl)-N'-(2-phenylsulfanylphenyl)oxamide?
The canonical SMILES for N-(4-amino-3-chlorophenyl)-N'-(2-phenylsulfanylphenyl)oxamide is Nc1ccc(NC(=O)C(=O)Nc2ccccc2Sc2ccccc2)cc1Cl.
What is the InChIKey of N-(4-amino-3-chlorophenyl)-N'-(2-phenylsulfanylphenyl)oxamide?
The InChIKey is SDHSIYKFHRHXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2S/c21-15-12-13(10-11-16(15)22)23-19(25)20(26)24-17-8-4-5-9-18(17)27-14-6-2-1-3-7-14/h1-12H,22H2,(H,23,25)(H,24,26).
What are the key properties of N-(4-amino-3-chlorophenyl)-N'-(2-phenylsulfanylphenyl)oxamide?
N-(4-amino-3-chlorophenyl)-N'-(2-phenylsulfanylphenyl)oxamide has a molecular weight of 397.89 g/mol, XLogP of 4.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-chlorophenyl)-N'-(2-phenylsulfanylphenyl)oxamide is sourced from PubChem (CID 108515097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).