N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclohexane-1-carboxamide

C22H26N2O5S — CID 170336459

IUPACN-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclohexane-1-carboxamide
SMILESCCOc1cc(NC(=O)C2CCCC(=O)C2)ccc1S(=O)(=O)Nc1cccc(C)c1
InChIInChI=1S/C22H26N2O5S/c1-3-29-20-14-17(23-22(26)16-7-5-9-19(25)13-16)10-11-21(20)30(27,28)24-18-8-4-6-15(2)12-18/h4,6,8,10-12,14,16,24H,3,5,7,9,13H2,1-2H3,(H,23,26)
InChIKeyHCHNHZWPUISIRF-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.89
Rot. Bonds7

About N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclohexane-1-carboxamide

N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclohexane-1-carboxamide (PubChem CID 170336459) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclohexane-1-carboxamide
PubChem CID170336459
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC NameN-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclohexane-1-carboxamide
SMILESCCOc1cc(NC(=O)C2CCCC(=O)C2)ccc1S(=O)(=O)Nc1cccc(C)c1
InChIInChI=1S/C22H26N2O5S/c1-3-29-20-14-17(23-22(26)16-7-5-9-19(25)13-16)10-11-21(20)30(27,28)24-18-8-4-6-15(2)12-18/h4,6,8,10-12,14,16,24H,3,5,7,9,13H2,1-2H3,(H,23,26)
InChIKeyHCHNHZWPUISIRF-UHFFFAOYSA-N
XLogP3.89
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclohexane-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

N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclopentane-1-carboxamide
CID 170336374
N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide
CID 25335431
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-4-hydroxycyclohexane-1-carboxamide
CID 169308033
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,1-dioxothiane-4-carboxamide
CID 169307841
N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]cyclohexanecarboxamide
CID 3546890
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-4-hydroxy-4-methylcyclohexane-1-carboxamide
CID 169307655
1-butanoyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
CID 55914431
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679353
(2S)-2-cyclopentyl-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-hydroxyacetamide
CID 169307931
3-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55982410
2-cyclopropyl-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-hydroxyacetamide
CID 169308031
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119265955

Frequently Asked Questions

What is the IUPAC name of N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclohexane-1-carboxamide?
The IUPAC name of N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclohexane-1-carboxamide (CID 170336459) is N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclohexane-1-carboxamide?
The canonical SMILES for N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclohexane-1-carboxamide is CCOc1cc(NC(=O)C2CCCC(=O)C2)ccc1S(=O)(=O)Nc1cccc(C)c1.
What is the InChIKey of N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclohexane-1-carboxamide?
The InChIKey is HCHNHZWPUISIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-3-29-20-14-17(23-22(26)16-7-5-9-19(25)13-16)10-11-21(20)30(27,28)24-18-8-4-6-15(2)12-18/h4,6,8,10-12,14,16,24H,3,5,7,9,13H2,1-2H3,(H,23,26).
What are the key properties of N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclohexane-1-carboxamide?
N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclohexane-1-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclohexane-1-carboxamide is sourced from PubChem (CID 170336459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).