3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide

C19H30N2O4S — CID 26516485

IUPAC3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C19H30N2O4S/c1-19(2,3)21-26(23,24)17-13-14(11-12-16(17)25-4)18(22)20-15-9-7-5-6-8-10-15/h11-13,15,21H,5-10H2,1-4H3,(H,20,22)
InChIKeyMGAREFQOQMDXSF-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.22
Rot. Bonds5

About 3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide

3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide (PubChem CID 26516485) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide
PubChem CID26516485
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Name3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C19H30N2O4S/c1-19(2,3)21-26(23,24)17-13-14(11-12-16(17)25-4)18(22)20-15-9-7-5-6-8-10-15/h11-13,15,21H,5-10H2,1-4H3,(H,20,22)
InChIKeyMGAREFQOQMDXSF-UHFFFAOYSA-N
XLogP3.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65366957
N-cyclohexyl-4-methoxy-3-sulfamoylbenzamide
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N-cyclohexyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46556722
3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
3-[(4-bromophenyl)sulfamoyl]-N-cyclohexyl-4-methoxybenzamide
CID 55346445
N-cyclopentyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164185
3-(tert-butylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-methoxybenzamide
CID 55949490
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
4-methoxy-N-(4-methylcyclohexyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46799189
3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide
CID 119450739
4-(tert-butylsulfamoyl)-N-cyclopentylbenzamide
CID 18106170
N-cyclohexyl-3-hydroxy-4-methoxybenzamide
CID 79600190

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide (CID 26516485) is 3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide is COc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide?
The InChIKey is MGAREFQOQMDXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-19(2,3)21-26(23,24)17-13-14(11-12-16(17)25-4)18(22)20-15-9-7-5-6-8-10-15/h11-13,15,21H,5-10H2,1-4H3,(H,20,22).
What are the key properties of 3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide?
3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide has a molecular weight of 382.53 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide is sourced from PubChem (CID 26516485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).