5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methoxybenzamide

C16H25N3O4S — CID 119983507

IUPAC5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NC(CN)C2CCCCC2)cc1C(N)=O
InChIInChI=1S/C16H25N3O4S/c1-23-15-8-7-12(9-13(15)16(18)20)24(21,22)19-14(10-17)11-5-3-2-4-6-11/h7-9,11,14,19H,2-6,10,17H2,1H3,(H2,18,20)
InChIKeyLEXRUVQFWTZBHM-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.98
Rot. Bonds7

About 5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methoxybenzamide

5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methoxybenzamide (PubChem CID 119983507) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methoxybenzamide
PubChem CID119983507
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NC(CN)C2CCCCC2)cc1C(N)=O
InChIInChI=1S/C16H25N3O4S/c1-23-15-8-7-12(9-13(15)16(18)20)24(21,22)19-14(10-17)11-5-3-2-4-6-11/h7-9,11,14,19H,2-6,10,17H2,1H3,(H2,18,20)
InChIKeyLEXRUVQFWTZBHM-UHFFFAOYSA-N
XLogP0.98
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119986612
N-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120710803
N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-nitrobenzenesulfonamide
CID 119983591
4-[(2-amino-1-cyclopentylethyl)sulfamoyl]benzamide
CID 106737961
N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-nitrobenzenesulfonamide;hydrochloride
CID 119983590
methyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate;hydrochloride
CID 120585325
5-(1,3-dihydroxypropan-2-ylsulfamoyl)-2-methoxybenzamide
CID 65314128
5-(1-aminopentan-2-ylsulfamoyl)-2-methoxybenzamide
CID 65192963
N-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 106737938
(3S)-3-cyclopropyl-3-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 95981916
N-(2-amino-1-cyclopropylethyl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride
CID 119986999
5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide
CID 119967645

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methoxybenzamide?
The IUPAC name of 5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methoxybenzamide (CID 119983507) is 5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methoxybenzamide.
What is the SMILES notation for 5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methoxybenzamide?
The canonical SMILES for 5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methoxybenzamide is COc1ccc(S(=O)(=O)NC(CN)C2CCCCC2)cc1C(N)=O.
What is the InChIKey of 5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methoxybenzamide?
The InChIKey is LEXRUVQFWTZBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-23-15-8-7-12(9-13(15)16(18)20)24(21,22)19-14(10-17)11-5-3-2-4-6-11/h7-9,11,14,19H,2-6,10,17H2,1H3,(H2,18,20).
What are the key properties of 5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methoxybenzamide?
5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methoxybenzamide has a molecular weight of 355.46 g/mol, XLogP of 0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methoxybenzamide is sourced from PubChem (CID 119983507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).