N-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide

C23H32N2O6S — CID 3586249

IUPACN-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)cc(OCC)c1OCC
InChIInChI=1S/C23H32N2O6S/c1-6-25(7-2)32(27,28)19-13-11-18(12-14-19)24-23(26)17-15-20(29-8-3)22(31-10-5)21(16-17)30-9-4/h11-16H,6-10H2,1-5H3,(H,24,26)
InChIKeyFMLNELNIBOCFAL-UHFFFAOYSA-N
MW464.58 g/mol
LogP4.17
Rot. Bonds12

About N-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide

N-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide (PubChem CID 3586249) has the molecular formula C23H32N2O6S and a molecular weight of 464.58 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
PubChem CID3586249
Molecular FormulaC23H32N2O6S
Molecular Weight464.58 g/mol
Exact Mass464.20
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)cc(OCC)c1OCC
InChIInChI=1S/C23H32N2O6S/c1-6-25(7-2)32(27,28)19-13-11-18(12-14-19)24-23(26)17-15-20(29-8-3)22(31-10-5)21(16-17)30-9-4/h11-16H,6-10H2,1-5H3,(H,24,26)
InChIKeyFMLNELNIBOCFAL-UHFFFAOYSA-N
XLogP4.17
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.58
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 2520365
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219654
N-[4-(diethylsulfamoyl)phenyl]-3-ethoxybenzamide
CID 4957423
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1077830
4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 8698718
N-[4-(dimethylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 7944350
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 24658864
N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide
CID 5178536
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-3-methylbenzamide
CID 100701493

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide (CID 3586249) is N-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)cc(OCC)c1OCC.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide?
The InChIKey is FMLNELNIBOCFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O6S/c1-6-25(7-2)32(27,28)19-13-11-18(12-14-19)24-23(26)17-15-20(29-8-3)22(31-10-5)21(16-17)30-9-4/h11-16H,6-10H2,1-5H3,(H,24,26).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide?
N-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide has a molecular weight of 464.58 g/mol, XLogP of 4.17, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide is sourced from PubChem (CID 3586249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).