3-(cyclopropylsulfamoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-methoxybenzamide

C21H33N3O4S — CID 18155370

IUPAC3-(cyclopropylsulfamoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(N(C)C)CCCCCC2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C21H33N3O4S/c1-24(2)21(12-6-4-5-7-13-21)15-22-20(25)16-8-11-18(28-3)19(14-16)29(26,27)23-17-9-10-17/h8,11,14,17,23H,4-7,9-10,12-13,15H2,1-3H3,(H,22,25)
InChIKeyZAMAXHXHWJAZJZ-UHFFFAOYSA-N
MW423.58 g/mol
LogP2.52
Rot. Bonds8

About 3-(cyclopropylsulfamoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-methoxybenzamide

3-(cyclopropylsulfamoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-methoxybenzamide (PubChem CID 18155370) has the molecular formula C21H33N3O4S and a molecular weight of 423.58 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-methoxybenzamide
PubChem CID18155370
Molecular FormulaC21H33N3O4S
Molecular Weight423.58 g/mol
Exact Mass423.22
IUPAC Name3-(cyclopropylsulfamoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(N(C)C)CCCCCC2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C21H33N3O4S/c1-24(2)21(12-6-4-5-7-13-21)15-22-20(25)16-8-11-18(28-3)19(14-16)29(26,27)23-17-9-10-17/h8,11,14,17,23H,4-7,9-10,12-13,15H2,1-3H3,(H,22,25)
InChIKeyZAMAXHXHWJAZJZ-UHFFFAOYSA-N
XLogP2.52
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropylsulfamoyl)-4-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 17468943
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119502368
3-[benzyl(methyl)sulfamoyl]-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methoxybenzamide
CID 55361577
3-(cyclopropylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 9439194
3-[[1-(dimethylamino)cycloheptyl]methylsulfamoyl]-4-methoxybenzoic acid
CID 45422378
3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249130
3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119501094
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methoxybenzamide
CID 104783189
3-(cyclopropylsulfamoyl)-4-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 46554772
3-(cyclopentylsulfamoyl)-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 46508124
3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
3-(cyclopentylsulfamoyl)-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-methoxybenzamide
CID 27740220

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-methoxybenzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-methoxybenzamide (CID 18155370) is 3-(cyclopropylsulfamoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-methoxybenzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC2(N(C)C)CCCCCC2)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-methoxybenzamide?
The InChIKey is ZAMAXHXHWJAZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4S/c1-24(2)21(12-6-4-5-7-13-21)15-22-20(25)16-8-11-18(28-3)19(14-16)29(26,27)23-17-9-10-17/h8,11,14,17,23H,4-7,9-10,12-13,15H2,1-3H3,(H,22,25).
What are the key properties of 3-(cyclopropylsulfamoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-methoxybenzamide?
3-(cyclopropylsulfamoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-methoxybenzamide has a molecular weight of 423.58 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 18155370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).