2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide

C25H27N3O5S — CID 4651552

IUPAC2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C25H27N3O5S/c1-4-28(5-2)34(31,32)21-10-8-9-18(17-21)24(29)27-23-12-7-6-11-22(23)25(30)26-19-13-15-20(33-3)16-14-19/h6-17H,4-5H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyIIXGKHJNBVQJAR-UHFFFAOYSA-N
MW481.57 g/mol
LogP4.23
Rot. Bonds9

About 2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide

2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide (PubChem CID 4651552) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is 2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide
PubChem CID4651552
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC Name2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C25H27N3O5S/c1-4-28(5-2)34(31,32)21-10-8-9-18(17-21)24(29)27-23-12-7-6-11-22(23)25(30)26-19-13-15-20(33-3)16-14-19/h6-17H,4-5H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyIIXGKHJNBVQJAR-UHFFFAOYSA-N
XLogP4.23
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-({3-[(Diethylamino)sulfonyl]-4-methoxybenzoyl}amino)benzoic acid
CID 1521222
1-benzoyl-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide
CID 9869819
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
N-[1-(4-methoxy-benzenesulfonyl)-2,3-dihydro-1H-indol-7-yl]-benzamide
CID 25168005
3-[Benzyl(4-methoxyphenyl)sulfamoyl]benzoic acid
CID 2387099
3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24639827
Sulfonamide-01
CID 11532283
4-[2-(6-methoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethyl]benzenesulfonamide
CID 127044834
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-methoxyphenyl)propanamide
CID 1317129
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2106114
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2340937
5-(azepane-1-carbonyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 2431964

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide (CID 4651552) is 2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2)c1.
What is the InChIKey of 2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is IIXGKHJNBVQJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-4-28(5-2)34(31,32)21-10-8-9-18(17-21)24(29)27-23-12-7-6-11-22(23)25(30)26-19-13-15-20(33-3)16-14-19/h6-17H,4-5H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide?
2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide has a molecular weight of 481.57 g/mol, XLogP of 4.23, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 4651552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).