3-(benzylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methylbenzamide

C25H27N3O5S — CID 30860385

IUPAC3-(benzylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C25H27N3O5S/c1-18-9-10-20(15-23(18)34(31,32)26-16-19-7-5-4-6-8-19)25(30)27-21-11-13-22(14-12-21)33-17-24(29)28(2)3/h4-15,26H,16-17H2,1-3H3,(H,27,30)
InChIKeyKGYLNWBZUCVHHY-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.19
Rot. Bonds9

About 3-(benzylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methylbenzamide

3-(benzylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methylbenzamide (PubChem CID 30860385) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methylbenzamide
PubChem CID30860385
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC Name3-(benzylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C25H27N3O5S/c1-18-9-10-20(15-23(18)34(31,32)26-16-19-7-5-4-6-8-19)25(30)27-21-11-13-22(14-12-21)33-17-24(29)28(2)3/h4-15,26H,16-17H2,1-3H3,(H,27,30)
InChIKeyKGYLNWBZUCVHHY-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide
CID 24536240
3-(benzylsulfamoyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617491
4-fluoro-3-[(4-methylphenyl)methylsulfamoyl]-N-(4-phenoxyphenyl)benzamide
CID 3407821
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(3,4-dimethylbenzoyl)benzamide
CID 33259015
3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 60593033
N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-phenylmethoxybenzamide
CID 9107189
3-(benzylsulfamoyl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 35623422
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methoxybenzamide
CID 32943268
3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide
CID 32686463
3-(benzylsulfamoyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 32746652
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 30860581

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methylbenzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methylbenzamide (CID 30860385) is 3-(benzylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methylbenzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)cc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methylbenzamide?
The InChIKey is KGYLNWBZUCVHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-18-9-10-20(15-23(18)34(31,32)26-16-19-7-5-4-6-8-19)25(30)27-21-11-13-22(14-12-21)33-17-24(29)28(2)3/h4-15,26H,16-17H2,1-3H3,(H,27,30).
What are the key properties of 3-(benzylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methylbenzamide?
3-(benzylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methylbenzamide has a molecular weight of 481.57 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methylbenzamide is sourced from PubChem (CID 30860385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).