N-[2-[4-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-4-methoxybenzamide

C22H20ClN3O5S — CID 2447787

IUPACN-[2-[4-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C22H20ClN3O5S/c1-31-19-10-2-15(3-11-19)22(28)24-14-21(27)25-17-8-12-20(13-9-17)32(29,30)26-18-6-4-16(23)5-7-18/h2-13,26H,14H2,1H3,(H,24,28)(H,25,27)
InChIKeyAWZGVEAWUNXABX-UHFFFAOYSA-N
MW473.94 g/mol
LogP3.52
Rot. Bonds8

About N-[2-[4-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-4-methoxybenzamide

N-[2-[4-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-4-methoxybenzamide (PubChem CID 2447787) has the molecular formula C22H20ClN3O5S and a molecular weight of 473.94 g/mol. Its IUPAC name is N-[2-[4-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-4-methoxybenzamide
PubChem CID2447787
Molecular FormulaC22H20ClN3O5S
Molecular Weight473.94 g/mol
Exact Mass473.08
IUPAC NameN-[2-[4-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C22H20ClN3O5S/c1-31-19-10-2-15(3-11-19)22(28)24-14-21(27)25-17-8-12-20(13-9-17)32(29,30)26-18-6-4-16(23)5-7-18/h2-13,26H,14H2,1H3,(H,24,28)(H,25,27)
InChIKeyAWZGVEAWUNXABX-UHFFFAOYSA-N
XLogP3.52
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.94
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methoxyphenyl)sulfamoyl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 49396012
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119431352
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490
methyl 4-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate
CID 24639142
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 17391179
N-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2083250
4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 94622380
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3539926

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[4-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-4-methoxybenzamide (CID 2447787) is N-[2-[4-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[4-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[4-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of N-[2-[4-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-4-methoxybenzamide?
The InChIKey is AWZGVEAWUNXABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O5S/c1-31-19-10-2-15(3-11-19)22(28)24-14-21(27)25-17-8-12-20(13-9-17)32(29,30)26-18-6-4-16(23)5-7-18/h2-13,26H,14H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[2-[4-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-4-methoxybenzamide?
N-[2-[4-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-4-methoxybenzamide has a molecular weight of 473.94 g/mol, XLogP of 3.52, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-4-methoxybenzamide is sourced from PubChem (CID 2447787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).