3-[(4-butylphenyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide

C26H30N2O6S — CID 27258622

IUPAC3-[(4-butylphenyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c2)cc1
InChIInChI=1S/C26H30N2O6S/c1-5-6-8-18-11-13-20(14-12-18)28-35(30,31)22-10-7-9-19(15-22)26(29)27-21-16-23(32-2)25(34-4)24(17-21)33-3/h7,9-17,28H,5-6,8H2,1-4H3,(H,27,29)
InChIKeySFMYDFXFFPFAFS-UHFFFAOYSA-N
MW498.60 g/mol
LogP5.11
Rot. Bonds11

About 3-[(4-butylphenyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide

3-[(4-butylphenyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide (PubChem CID 27258622) has the molecular formula C26H30N2O6S and a molecular weight of 498.60 g/mol. Its IUPAC name is 3-[(4-butylphenyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-[(4-butylphenyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide
PubChem CID27258622
Molecular FormulaC26H30N2O6S
Molecular Weight498.60 g/mol
Exact Mass498.18
IUPAC Name3-[(4-butylphenyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c2)cc1
InChIInChI=1S/C26H30N2O6S/c1-5-6-8-18-11-13-20(14-12-18)28-35(30,31)22-10-7-9-19(15-22)26(29)27-21-16-23(32-2)25(34-4)24(17-21)33-3/h7,9-17,28H,5-6,8H2,1-4H3,(H,27,29)
InChIKeySFMYDFXFFPFAFS-UHFFFAOYSA-N
XLogP5.11
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.60
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(4-butylphenyl)sulfamoyl]-2-methoxyphenyl]-3-chlorobenzamide
CID 3995108
4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide
CID 2231369
1-cyanoethyl 3-[(4-butylphenyl)sulfamoyl]benzoate
CID 46675240
N-(4-butylphenyl)-3-iodo-4-methoxybenzenesulfonamide
CID 2975745
3-[(4-butylphenyl)sulfamoyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 55430189
N-(4-butylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373539
3-[(4-butylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide
CID 55387130
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
3-[(4-butylphenyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 55347238
methyl 4-[[3-(butylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109062626
4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 6611513
3-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688780

Frequently Asked Questions

What is the IUPAC name of 3-[(4-butylphenyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide?
The IUPAC name of 3-[(4-butylphenyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide (CID 27258622) is 3-[(4-butylphenyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide.
What is the SMILES notation for 3-[(4-butylphenyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide?
The canonical SMILES for 3-[(4-butylphenyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide is CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c2)cc1.
What is the InChIKey of 3-[(4-butylphenyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide?
The InChIKey is SFMYDFXFFPFAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O6S/c1-5-6-8-18-11-13-20(14-12-18)28-35(30,31)22-10-7-9-19(15-22)26(29)27-21-16-23(32-2)25(34-4)24(17-21)33-3/h7,9-17,28H,5-6,8H2,1-4H3,(H,27,29).
What are the key properties of 3-[(4-butylphenyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide?
3-[(4-butylphenyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide has a molecular weight of 498.60 g/mol, XLogP of 5.11, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-butylphenyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide is sourced from PubChem (CID 27258622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).