N-cyclohexylsulfonyl-4-methoxy-2-methylbenzamide

C15H21NO4S — CID 154780969

IUPACN-cyclohexylsulfonyl-4-methoxy-2-methylbenzamide
SMILESCOc1ccc(C(=O)NS(=O)(=O)C2CCCCC2)c(C)c1
InChIInChI=1S/C15H21NO4S/c1-11-10-12(20-2)8-9-14(11)15(17)16-21(18,19)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H,16,17)
InChIKeyYGLVUZXFUABJBZ-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.40
Rot. Bonds4

About N-cyclohexylsulfonyl-4-methoxy-2-methylbenzamide

N-cyclohexylsulfonyl-4-methoxy-2-methylbenzamide (PubChem CID 154780969) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is N-cyclohexylsulfonyl-4-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-cyclohexylsulfonyl-4-methoxy-2-methylbenzamide
PubChem CID154780969
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC NameN-cyclohexylsulfonyl-4-methoxy-2-methylbenzamide
SMILESCOc1ccc(C(=O)NS(=O)(=O)C2CCCCC2)c(C)c1
InChIInChI=1S/C15H21NO4S/c1-11-10-12(20-2)8-9-14(11)15(17)16-21(18,19)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H,16,17)
InChIKeyYGLVUZXFUABJBZ-UHFFFAOYSA-N
XLogP2.40
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclobutylsulfonyl-2,5-dimethylfuran-3-carboxamide
CID 154841487
4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119228986
2-(cyclopropylsulfonylamino)-4-methoxybenzoic acid
CID 78920269
N-cyclohexylsulfonyl-2-ethylfuran-3-carboxamide
CID 146091047
(4-methoxy-2-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105084741
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4-dimethylbenzamide
CID 133200269
2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 114965532
1-(4-methoxy-2-methylbenzoyl)piperidine-2-carboxylic acid
CID 119175727
(4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanone
CID 80621939
methyl 1-[[3-cyclohexyl-6-(cyclopentylsulfonylcarbamoyl)-2-(4-methoxyphenyl)indol-1-yl]methyl]cyclopropane-1-carboxylate
CID 70642501
N-(2-aminoethyl)-4-methoxy-2-methylbenzamide;hydrochloride
CID 119384390
2-cyclohexyloxy-4-methoxybenzoic acid
CID 61269041

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylsulfonyl-4-methoxy-2-methylbenzamide?
The IUPAC name of N-cyclohexylsulfonyl-4-methoxy-2-methylbenzamide (CID 154780969) is N-cyclohexylsulfonyl-4-methoxy-2-methylbenzamide.
What is the SMILES notation for N-cyclohexylsulfonyl-4-methoxy-2-methylbenzamide?
The canonical SMILES for N-cyclohexylsulfonyl-4-methoxy-2-methylbenzamide is COc1ccc(C(=O)NS(=O)(=O)C2CCCCC2)c(C)c1.
What is the InChIKey of N-cyclohexylsulfonyl-4-methoxy-2-methylbenzamide?
The InChIKey is YGLVUZXFUABJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-11-10-12(20-2)8-9-14(11)15(17)16-21(18,19)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H,16,17).
What are the key properties of N-cyclohexylsulfonyl-4-methoxy-2-methylbenzamide?
N-cyclohexylsulfonyl-4-methoxy-2-methylbenzamide has a molecular weight of 311.40 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylsulfonyl-4-methoxy-2-methylbenzamide is sourced from PubChem (CID 154780969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).