N-[2-(aminomethyl)cyclohexyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide

C17H27N3O4S — CID 119610980

IUPACN-[2-(aminomethyl)cyclohexyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCCC2CN)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H27N3O4S/c1-20(2)25(22,23)16-10-12(8-9-15(16)24-3)17(21)19-14-7-5-4-6-13(14)11-18/h8-10,13-14H,4-7,11,18H2,1-3H3,(H,19,21)
InChIKeyUGTVMMUNLLKRJI-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.19
Rot. Bonds6

About N-[2-(aminomethyl)cyclohexyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide

N-[2-(aminomethyl)cyclohexyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide (PubChem CID 119610980) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
PubChem CID119610980
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCCC2CN)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H27N3O4S/c1-20(2)25(22,23)16-10-12(8-9-15(16)24-3)17(21)19-14-7-5-4-6-13(14)11-18/h8-10,13-14H,4-7,11,18H2,1-3H3,(H,19,21)
InChIKeyUGTVMMUNLLKRJI-UHFFFAOYSA-N
XLogP1.19
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 119610116
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 55534166
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-[2-(aminomethyl)cyclopentyl]-3-hydroxy-4-methoxybenzamide
CID 79725712
3-(dimethylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 26877374
N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride
CID 119601304
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 119610035
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119610574
N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119383906
3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 17027721
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 119407057

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide (CID 119610980) is N-[2-(aminomethyl)cyclohexyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide is COc1ccc(C(=O)NC2CCCCC2CN)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The InChIKey is UGTVMMUNLLKRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-20(2)25(22,23)16-10-12(8-9-15(16)24-3)17(21)19-14-7-5-4-6-13(14)11-18/h8-10,13-14H,4-7,11,18H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
N-[2-(aminomethyl)cyclohexyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide has a molecular weight of 369.49 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 119610980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).