N-[2-(4-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]benzamide

C25H27N3O5S — CID 30795639

IUPACN-[2-(4-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)cc1
InChIInChI=1S/C25H27N3O5S/c1-17-6-5-7-20(14-17)27-34(31,32)22-13-8-18(2)23(15-22)25(30)28(3)16-24(29)26-19-9-11-21(33-4)12-10-19/h5-15,27H,16H2,1-4H3,(H,26,29)
InChIKeyBDAWFLIFUGZLEC-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.82
Rot. Bonds8

About N-[2-(4-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]benzamide

N-[2-(4-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 30795639) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID30795639
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)cc1
InChIInChI=1S/C25H27N3O5S/c1-17-6-5-7-20(14-17)27-34(31,32)22-13-8-18(2)23(15-22)25(30)28(3)16-24(29)26-19-9-11-21(33-4)12-10-19/h5-15,27H,16H2,1-4H3,(H,26,29)
InChIKeyBDAWFLIFUGZLEC-UHFFFAOYSA-N
XLogP3.82
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide
CID 9341864
2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 1105127
N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 30796988
N-(4-methoxyphenyl)-4-methyl-3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 55350821
N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 56503283
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55868533
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43879935
2-chloro-5-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 26883565
2-methyl-N-[2-(methylamino)ethyl]-5-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119500518
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-[(4-methoxyphenyl)sulfamoyl]-N,2-dimethylbenzamide
CID 55347530
2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 2657150
N-(2,5-dimethylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 29169048

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]benzamide (CID 30795639) is N-[2-(4-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(4-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]benzamide is COc1ccc(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is BDAWFLIFUGZLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-17-6-5-7-20(14-17)27-34(31,32)22-13-8-18(2)23(15-22)25(30)28(3)16-24(29)26-19-9-11-21(33-4)12-10-19/h5-15,27H,16H2,1-4H3,(H,26,29).
What are the key properties of N-[2-(4-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]benzamide?
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]benzamide has a molecular weight of 481.57 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 30795639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).