3-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide

C23H23N3O5S — CID 30379129

IUPAC3-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C23H23N3O5S/c1-26(2)23(28)17-7-6-8-18(15-17)24-22(27)16-11-13-19(14-12-16)32(29,30)25-20-9-4-5-10-21(20)31-3/h4-15,25H,1-3H3,(H,24,27)
InChIKeyZIWACSNNNOZOAT-UHFFFAOYSA-N
MW453.52 g/mol
LogP3.45
Rot. Bonds7

About 3-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide

3-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide (PubChem CID 30379129) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is 3-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide
PubChem CID30379129
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC Name3-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C23H23N3O5S/c1-26(2)23(28)17-7-6-8-18(15-17)24-22(27)16-11-13-19(14-12-16)32(29,30)25-20-9-4-5-10-21(20)31-3/h4-15,25H,1-3H3,(H,24,27)
InChIKeyZIWACSNNNOZOAT-UHFFFAOYSA-N
XLogP3.45
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 30379157
4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26538003
N-[3-(2-amino-2-oxoethoxy)phenyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 30697316
1-(3-acetylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]urea
CID 1295236
3-methoxy-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 2449372
N-(3,4-diethoxyphenyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26878798
3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 32627137
3-[[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1356397
N-(4-chloro-2-methylphenyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26665081
methyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 24629326
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
4-(dimethylamino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 35994119

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide (CID 30379129) is 3-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide is COc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2)cc1.
What is the InChIKey of 3-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide?
The InChIKey is ZIWACSNNNOZOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-26(2)23(28)17-7-6-8-18(15-17)24-22(27)16-11-13-19(14-12-16)32(29,30)25-20-9-4-5-10-21(20)31-3/h4-15,25H,1-3H3,(H,24,27).
What are the key properties of 3-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide?
3-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide has a molecular weight of 453.52 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 30379129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).