2-amino-N-(4-methyl-3-sulfamoylphenyl)cyclohexane-1-carboxamide

C14H21N3O3S — CID 64823639

IUPAC2-amino-N-(4-methyl-3-sulfamoylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCCCC2N)cc1S(N)(=O)=O
InChIInChI=1S/C14H21N3O3S/c1-9-6-7-10(8-13(9)21(16,19)20)17-14(18)11-4-2-3-5-12(11)15/h6-8,11-12H,2-5,15H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyBKNPJRXEKIKKFZ-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.10
Rot. Bonds3

About 2-amino-N-(4-methyl-3-sulfamoylphenyl)cyclohexane-1-carboxamide

2-amino-N-(4-methyl-3-sulfamoylphenyl)cyclohexane-1-carboxamide (PubChem CID 64823639) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-amino-N-(4-methyl-3-sulfamoylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-methyl-3-sulfamoylphenyl)cyclohexane-1-carboxamide
PubChem CID64823639
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-amino-N-(4-methyl-3-sulfamoylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCCCC2N)cc1S(N)(=O)=O
InChIInChI=1S/C14H21N3O3S/c1-9-6-7-10(8-13(9)21(16,19)20)17-14(18)11-4-2-3-5-12(11)15/h6-8,11-12H,2-5,15H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyBKNPJRXEKIKKFZ-UHFFFAOYSA-N
XLogP1.10
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-bromo-4-methylphenyl)cyclopentane-1-carboxamide
CID 64825039
N-(4-methyl-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 39764000
2-amino-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 12512511
N-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide
CID 62213044
2-amino-N-(2-methyl-3-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 64823773
2-amino-N-(3-chloro-4-hydroxyphenyl)cycloheptane-1-carboxamide
CID 107679949
4-(cyclopropanecarbonylamino)-N-(4-methyl-3-sulfamoylphenyl)benzamide
CID 46809533
2-amino-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 64823330
5-(cyclopentylamino)-2-methylbenzenesulfonamide
CID 28653417
2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide
CID 64816780
methyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate
CID 64823451
N-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide
CID 64822591

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methyl-3-sulfamoylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(4-methyl-3-sulfamoylphenyl)cyclohexane-1-carboxamide (CID 64823639) is 2-amino-N-(4-methyl-3-sulfamoylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(4-methyl-3-sulfamoylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(4-methyl-3-sulfamoylphenyl)cyclohexane-1-carboxamide is Cc1ccc(NC(=O)C2CCCCC2N)cc1S(N)(=O)=O.
What is the InChIKey of 2-amino-N-(4-methyl-3-sulfamoylphenyl)cyclohexane-1-carboxamide?
The InChIKey is BKNPJRXEKIKKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-9-6-7-10(8-13(9)21(16,19)20)17-14(18)11-4-2-3-5-12(11)15/h6-8,11-12H,2-5,15H2,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of 2-amino-N-(4-methyl-3-sulfamoylphenyl)cyclohexane-1-carboxamide?
2-amino-N-(4-methyl-3-sulfamoylphenyl)cyclohexane-1-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methyl-3-sulfamoylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64823639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).