N-(3-amino-4-methoxyphenyl)-2-cyclohexylsulfonyl-3-methylbutanamide;hydrochloride

C18H29ClN2O4S — CID 119419489

IUPACN-(3-amino-4-methoxyphenyl)-2-cyclohexylsulfonyl-3-methylbutanamide;hydrochloride
SMILESCOc1ccc(NC(=O)C(C(C)C)S(=O)(=O)C2CCCCC2)cc1N.Cl
InChIInChI=1S/C18H28N2O4S.ClH/c1-12(2)17(25(22,23)14-7-5-4-6-8-14)18(21)20-13-9-10-16(24-3)15(19)11-13;/h9-12,14,17H,4-8,19H2,1-3H3,(H,20,21);1H
InChIKeyRWFRYUIWASHRHT-UHFFFAOYSA-N
MW404.96 g/mol
LogP3.41
Rot. Bonds6

About N-(3-amino-4-methoxyphenyl)-2-cyclohexylsulfonyl-3-methylbutanamide;hydrochloride

N-(3-amino-4-methoxyphenyl)-2-cyclohexylsulfonyl-3-methylbutanamide;hydrochloride (PubChem CID 119419489) has the molecular formula C18H29ClN2O4S and a molecular weight of 404.96 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-2-cyclohexylsulfonyl-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-2-cyclohexylsulfonyl-3-methylbutanamide;hydrochloride
PubChem CID119419489
Molecular FormulaC18H29ClN2O4S
Molecular Weight404.96 g/mol
Exact Mass404.15
IUPAC NameN-(3-amino-4-methoxyphenyl)-2-cyclohexylsulfonyl-3-methylbutanamide;hydrochloride
SMILESCOc1ccc(NC(=O)C(C(C)C)S(=O)(=O)C2CCCCC2)cc1N.Cl
InChIInChI=1S/C18H28N2O4S.ClH/c1-12(2)17(25(22,23)14-7-5-4-6-8-14)18(21)20-13-9-10-16(24-3)15(19)11-13;/h9-12,14,17H,4-8,19H2,1-3H3,(H,20,21);1H
InChIKeyRWFRYUIWASHRHT-UHFFFAOYSA-N
XLogP3.41
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.96
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-N-(3-amino-4-methoxyphenyl)-2-cyclopentylacetamide;hydrochloride
CID 119419106
4-[(2-cyclohexylsulfonyl-3-methylbutanoyl)amino]-2-methylbenzoic acid
CID 119240199
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
N-(3-amino-4-methoxyphenyl)-2,3,3-trimethylbutanamide
CID 119419413
N-(3-amino-4-methoxyphenyl)-2-methylbutanamide
CID 43599878
N-(3-amino-4-methoxyphenyl)oxane-2-carboxamide
CID 62215161
N-(3-amino-4-methoxyphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide;hydrochloride
CID 119418923
N-[1-(3-amino-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride
CID 119418919
N-(3-amino-4-methoxyphenyl)-3,4-dimethylpentanamide
CID 119420495
N-(3-amino-4-methoxyphenyl)-1,1-dioxothiane-2-carboxamide
CID 104517382
N-(3-amino-4-methoxyphenyl)-1-sulfamoylpiperidine-4-carboxamide
CID 119420188
N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119419366

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-2-cyclohexylsulfonyl-3-methylbutanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-2-cyclohexylsulfonyl-3-methylbutanamide;hydrochloride (CID 119419489) is N-(3-amino-4-methoxyphenyl)-2-cyclohexylsulfonyl-3-methylbutanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-2-cyclohexylsulfonyl-3-methylbutanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-2-cyclohexylsulfonyl-3-methylbutanamide;hydrochloride is COc1ccc(NC(=O)C(C(C)C)S(=O)(=O)C2CCCCC2)cc1N.Cl.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-2-cyclohexylsulfonyl-3-methylbutanamide;hydrochloride?
The InChIKey is RWFRYUIWASHRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S.ClH/c1-12(2)17(25(22,23)14-7-5-4-6-8-14)18(21)20-13-9-10-16(24-3)15(19)11-13;/h9-12,14,17H,4-8,19H2,1-3H3,(H,20,21);1H.
What are the key properties of N-(3-amino-4-methoxyphenyl)-2-cyclohexylsulfonyl-3-methylbutanamide;hydrochloride?
N-(3-amino-4-methoxyphenyl)-2-cyclohexylsulfonyl-3-methylbutanamide;hydrochloride has a molecular weight of 404.96 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-2-cyclohexylsulfonyl-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119419489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).