2-(4-methylcyclohexylidene)-N-[(4-sulfamoylphenyl)methyl]acetamide

C16H22N2O3S — CID 75364867

IUPAC2-(4-methylcyclohexylidene)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCC1CCC(=CC(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C16H22N2O3S/c1-12-2-4-13(5-3-12)10-16(19)18-11-14-6-8-15(9-7-14)22(17,20)21/h6-10,12H,2-5,11H2,1H3,(H,18,19)(H2,17,20,21)/b13-10-
InChIKeyMJGFKCXSCFYWNR-RAXLEYEMSA-N
MW322.43 g/mol
LogP2.09
Rot. Bonds4

About 2-(4-methylcyclohexylidene)-N-[(4-sulfamoylphenyl)methyl]acetamide

2-(4-methylcyclohexylidene)-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 75364867) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-(4-methylcyclohexylidene)-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylcyclohexylidene)-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID75364867
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name2-(4-methylcyclohexylidene)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCC1CCC(=CC(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C16H22N2O3S/c1-12-2-4-13(5-3-12)10-16(19)18-11-14-6-8-15(9-7-14)22(17,20)21/h6-10,12H,2-5,11H2,1H3,(H,18,19)(H2,17,20,21)/b13-10-
InChIKeyMJGFKCXSCFYWNR-RAXLEYEMSA-N
XLogP2.09
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(4-methylcyclohexyl)-3-[(4-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111255804
4-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide
CID 114422610
3-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide
CID 62339447
N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide
CID 10470657
(2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide
CID 22691434
(1R,2S,5R)-5-methyl-2-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]cyclohexane-1-carboxamide
CID 59860935
1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea
CID 24685233
N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
2-methyl-2-(methylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 62834122
N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263305
ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 5054603
N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 3562284

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexylidene)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-methylcyclohexylidene)-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 75364867) is 2-(4-methylcyclohexylidene)-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-methylcyclohexylidene)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-methylcyclohexylidene)-N-[(4-sulfamoylphenyl)methyl]acetamide is CC1CCC(=CC(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 2-(4-methylcyclohexylidene)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is MJGFKCXSCFYWNR-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-12-2-4-13(5-3-12)10-16(19)18-11-14-6-8-15(9-7-14)22(17,20)21/h6-10,12H,2-5,11H2,1H3,(H,18,19)(H2,17,20,21)/b13-10-.
What are the key properties of 2-(4-methylcyclohexylidene)-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-(4-methylcyclohexylidene)-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 322.43 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexylidene)-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 75364867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).