3-amino-N-[3-(tert-butylsulfamoyl)phenyl]cyclohexane-1-carboxamide

C17H27N3O3S — CID 119688782

IUPAC3-amino-N-[3-(tert-butylsulfamoyl)phenyl]cyclohexane-1-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C17H27N3O3S/c1-17(2,3)20-24(22,23)15-9-5-8-14(11-15)19-16(21)12-6-4-7-13(18)10-12/h5,8-9,11-13,20H,4,6-7,10,18H2,1-3H3,(H,19,21)
InChIKeyCCRMCYHOSOCODH-UHFFFAOYSA-N
MW353.49 g/mol
LogP2.22
Rot. Bonds4

About 3-amino-N-[3-(tert-butylsulfamoyl)phenyl]cyclohexane-1-carboxamide

3-amino-N-[3-(tert-butylsulfamoyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 119688782) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 3-amino-N-[3-(tert-butylsulfamoyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(tert-butylsulfamoyl)phenyl]cyclohexane-1-carboxamide
PubChem CID119688782
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name3-amino-N-[3-(tert-butylsulfamoyl)phenyl]cyclohexane-1-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C17H27N3O3S/c1-17(2,3)20-24(22,23)15-9-5-8-14(11-15)19-16(21)12-6-4-7-13(18)10-12/h5,8-9,11-13,20H,4,6-7,10,18H2,1-3H3,(H,19,21)
InChIKeyCCRMCYHOSOCODH-UHFFFAOYSA-N
XLogP2.22
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[3-(tert-butylsulfamoyl)phenyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[3-(methylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119731808
3-amino-N-[3-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731804
3-amino-N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119793490
(3R)-N-[3-(tert-butylsulfamoyl)phenyl]oxolane-3-carboxamide
CID 94824302
3-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]cyclopentane-1-carboxamide
CID 119798958
tert-butyl 3-[[3-(tert-butylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 55438893
3-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119798887
3-amino-N-[3-[methyl(phenyl)sulfamoyl]phenyl]cyclopentane-1-carboxamide
CID 119676593
N-[3-(tert-butylsulfamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119270871
3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 63042501
3-amino-N-(3-cyanophenyl)cyclohexane-1-carboxamide
CID 63042853
3-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide
CID 119790385

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(tert-butylsulfamoyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-(tert-butylsulfamoyl)phenyl]cyclohexane-1-carboxamide (CID 119688782) is 3-amino-N-[3-(tert-butylsulfamoyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(tert-butylsulfamoyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-(tert-butylsulfamoyl)phenyl]cyclohexane-1-carboxamide is CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C2CCCC(N)C2)c1.
What is the InChIKey of 3-amino-N-[3-(tert-butylsulfamoyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is CCRMCYHOSOCODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-17(2,3)20-24(22,23)15-9-5-8-14(11-15)19-16(21)12-6-4-7-13(18)10-12/h5,8-9,11-13,20H,4,6-7,10,18H2,1-3H3,(H,19,21).
What are the key properties of 3-amino-N-[3-(tert-butylsulfamoyl)phenyl]cyclohexane-1-carboxamide?
3-amino-N-[3-(tert-butylsulfamoyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(tert-butylsulfamoyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119688782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).