N-(3-chloro-4-methoxyphenyl)-N'-(2-phenylsulfanylphenyl)oxamide

C21H17ClN2O3S — CID 108501172

IUPACN-(3-chloro-4-methoxyphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)Nc2ccccc2Sc2ccccc2)cc1Cl
InChIInChI=1S/C21H17ClN2O3S/c1-27-18-12-11-14(13-16(18)22)23-20(25)21(26)24-17-9-5-6-10-19(17)28-15-7-3-2-4-8-15/h2-13H,1H3,(H,23,25)(H,24,26)
InChIKeyKAWZJOZWTQVHDU-UHFFFAOYSA-N
MW412.90 g/mol
LogP5.08
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-N'-(2-phenylsulfanylphenyl)oxamide

N-(3-chloro-4-methoxyphenyl)-N'-(2-phenylsulfanylphenyl)oxamide (PubChem CID 108501172) has the molecular formula C21H17ClN2O3S and a molecular weight of 412.90 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N'-(2-phenylsulfanylphenyl)oxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
PubChem CID108501172
Molecular FormulaC21H17ClN2O3S
Molecular Weight412.90 g/mol
Exact Mass412.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)Nc2ccccc2Sc2ccccc2)cc1Cl
InChIInChI=1S/C21H17ClN2O3S/c1-27-18-12-11-14(13-16(18)22)23-20(25)21(26)24-17-9-5-6-10-19(17)28-15-7-3-2-4-8-15/h2-13H,1H3,(H,23,25)(H,24,26)
InChIKeyKAWZJOZWTQVHDU-UHFFFAOYSA-N
XLogP5.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.90
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3-chlorophenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515097
N-(3,4-dimethylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515146
ethyl 2-[[2-(3-chloro-4-methoxyanilino)-2-oxoacetyl]amino]benzoate
CID 108501132
1-(3-chloro-4-methoxyphenyl)-3-(2-sulfanylphenyl)urea
CID 108886279
N-(3-chloro-4-methoxyphenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 44999396
N'-(2-chloro-4,6-dimethylphenyl)-N-(2-phenylsulfanylphenyl)oxamide
CID 108515250
(2R)-2-chloro-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 2392261
1-(4-methoxyphenyl)-3-(2-phenylsulfanylphenyl)urea
CID 17298814
3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea
CID 108991522
2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide
CID 43876035
N-(4-carbamoylphenyl)-N'-(3-chloro-4-methoxyphenyl)oxamide
CID 108501263
1-(3,5-dimethoxyphenyl)-3-(2-phenylsulfanylphenyl)urea
CID 108869420

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N'-(2-phenylsulfanylphenyl)oxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N'-(2-phenylsulfanylphenyl)oxamide (CID 108501172) is N-(3-chloro-4-methoxyphenyl)-N'-(2-phenylsulfanylphenyl)oxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N'-(2-phenylsulfanylphenyl)oxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N'-(2-phenylsulfanylphenyl)oxamide is COc1ccc(NC(=O)C(=O)Nc2ccccc2Sc2ccccc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N'-(2-phenylsulfanylphenyl)oxamide?
The InChIKey is KAWZJOZWTQVHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3S/c1-27-18-12-11-14(13-16(18)22)23-20(25)21(26)24-17-9-5-6-10-19(17)28-15-7-3-2-4-8-15/h2-13H,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N'-(2-phenylsulfanylphenyl)oxamide?
N-(3-chloro-4-methoxyphenyl)-N'-(2-phenylsulfanylphenyl)oxamide has a molecular weight of 412.90 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-N'-(2-phenylsulfanylphenyl)oxamide is sourced from PubChem (CID 108501172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).