4-(cycloheptylsulfamoyl)-N-(3-methylbutyl)benzamide

C19H30N2O3S — CID 109061209

IUPAC4-(cycloheptylsulfamoyl)-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C19H30N2O3S/c1-15(2)13-14-20-19(22)16-9-11-18(12-10-16)25(23,24)21-17-7-5-3-4-6-8-17/h9-12,15,17,21H,3-8,13-14H2,1-2H3,(H,20,22)
InChIKeyAHNKHNPMHICFEY-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.46
Rot. Bonds7

About 4-(cycloheptylsulfamoyl)-N-(3-methylbutyl)benzamide

4-(cycloheptylsulfamoyl)-N-(3-methylbutyl)benzamide (PubChem CID 109061209) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 4-(cycloheptylsulfamoyl)-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-(cycloheptylsulfamoyl)-N-(3-methylbutyl)benzamide
PubChem CID109061209
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name4-(cycloheptylsulfamoyl)-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C19H30N2O3S/c1-15(2)13-14-20-19(22)16-9-11-18(12-10-16)25(23,24)21-17-7-5-3-4-6-8-17/h9-12,15,17,21H,3-8,13-14H2,1-2H3,(H,20,22)
InChIKeyAHNKHNPMHICFEY-UHFFFAOYSA-N
XLogP3.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclohexylsulfamoyl)-N-pentylbenzamide
CID 109059553
4-(cyclopentylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 109059323
4-(cycloheptylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 109059992
N-[3-(azepan-1-yl)propyl]-4-(cyclopropylsulfamoyl)benzamide
CID 30942685
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-(cyclopropylsulfamoyl)benzamide
CID 47067351
4-(cyclopropylsulfamoyl)-N-[2-(diethylamino)propyl]benzamide
CID 46433043
4-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide
CID 55723380
N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide
CID 4948886
N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 34508335
sodium 4-(cyclohexylsulfamoyl)benzoate
CID 122705986
N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide
CID 108736292
4-cyclohexyl-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]benzamide
CID 52685874

Frequently Asked Questions

What is the IUPAC name of 4-(cycloheptylsulfamoyl)-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-(cycloheptylsulfamoyl)-N-(3-methylbutyl)benzamide (CID 109061209) is 4-(cycloheptylsulfamoyl)-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-(cycloheptylsulfamoyl)-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-(cycloheptylsulfamoyl)-N-(3-methylbutyl)benzamide is CC(C)CCNC(=O)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1.
What is the InChIKey of 4-(cycloheptylsulfamoyl)-N-(3-methylbutyl)benzamide?
The InChIKey is AHNKHNPMHICFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-15(2)13-14-20-19(22)16-9-11-18(12-10-16)25(23,24)21-17-7-5-3-4-6-8-17/h9-12,15,17,21H,3-8,13-14H2,1-2H3,(H,20,22).
What are the key properties of 4-(cycloheptylsulfamoyl)-N-(3-methylbutyl)benzamide?
4-(cycloheptylsulfamoyl)-N-(3-methylbutyl)benzamide has a molecular weight of 366.53 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloheptylsulfamoyl)-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 109061209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).