N-(3-methylbutyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide

C21H28N2O3S — CID 109065328

IUPACN-(3-methylbutyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide
SMILESCC(C)CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C21H28N2O3S/c1-15(2)12-13-22-21(24)18-6-5-7-20(14-18)27(25,26)23-19-10-8-17(9-11-19)16(3)4/h5-11,14-16,23H,12-13H2,1-4H3,(H,22,24)
InChIKeyBTMJMNMYUHLLHO-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.39
Rot. Bonds8

About N-(3-methylbutyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide

N-(3-methylbutyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide (PubChem CID 109065328) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide
PubChem CID109065328
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-(3-methylbutyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide
SMILESCC(C)CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C21H28N2O3S/c1-15(2)12-13-22-21(24)18-6-5-7-20(14-18)27(25,26)23-19-10-8-17(9-11-19)16(3)4/h5-11,14-16,23H,12-13H2,1-4H3,(H,22,24)
InChIKeyBTMJMNMYUHLLHO-UHFFFAOYSA-N
XLogP4.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-acetylphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 109065339
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 17480198
3-[(3-fluorophenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 109065341
3-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 18072891
N-(4-methylpentyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 32628667
N-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
CID 119498833
N-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide
CID 109065314
3-[(4-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9299728
3-[(4-chlorophenyl)sulfamoyl]-N-ethylbenzamide
CID 26637971
N-butyl-N-methyl-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109065512
3-[3-(dimethylamino)propylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 109064177
N-(3-methylbutyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064786

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(3-methylbutyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide (CID 109065328) is N-(3-methylbutyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-methylbutyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-methylbutyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide is CC(C)CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-(3-methylbutyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide?
The InChIKey is BTMJMNMYUHLLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-15(2)12-13-22-21(24)18-6-5-7-20(14-18)27(25,26)23-19-10-8-17(9-11-19)16(3)4/h5-11,14-16,23H,12-13H2,1-4H3,(H,22,24).
What are the key properties of N-(3-methylbutyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide?
N-(3-methylbutyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide has a molecular weight of 388.53 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 109065328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).