N-(4-butylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide

C21H28N2O4S — CID 45373539

IUPACN-(4-butylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-6-7-16-8-11-18(12-9-16)22-21(24)17-10-13-19(27-4)20(14-17)28(25,26)23-15(2)3/h8-15,23H,5-7H2,1-4H3,(H,22,24)
InChIKeyLDFQGVIOFISUDD-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.98
Rot. Bonds9

About N-(4-butylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide

N-(4-butylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 45373539) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID45373539
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-(4-butylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-6-7-16-8-11-18(12-9-16)22-21(24)17-10-13-19(27-4)20(14-17)28(25,26)23-15(2)3/h8-15,23H,5-7H2,1-4H3,(H,22,24)
InChIKeyLDFQGVIOFISUDD-UHFFFAOYSA-N
XLogP3.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 16594690
N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119419366
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 40742114
N-(9-ethylcarbazol-3-yl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 24538264
N-(4-butylphenyl)-4-methoxy-3-nitrobenzamide
CID 3346211
4-methoxy-N-(3-propan-2-yloxypropyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 45373535
4-methoxy-N-(3-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 45373523
N-(3-acetamido-4-methoxyphenyl)-4-butylbenzamide
CID 24666778
4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide
CID 39736994
N-(4-bromo-2,6-dimethylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 100795511
3-[(4-butylphenyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 27258622

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(4-butylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide (CID 45373539) is N-(4-butylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-butylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(4-butylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide is CCCCc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is LDFQGVIOFISUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-5-6-7-16-8-11-18(12-9-16)22-21(24)17-10-13-19(27-4)20(14-17)28(25,26)23-15(2)3/h8-15,23H,5-7H2,1-4H3,(H,22,24).
What are the key properties of N-(4-butylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide?
N-(4-butylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 404.53 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 45373539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).