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

C21H24N2O5S — CID 170336374

IUPACN-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclopentane-1-carboxamide
SMILESCCOc1cc(NC(=O)C2CCC(=O)C2)ccc1S(=O)(=O)Nc1cccc(C)c1
InChIInChI=1S/C21H24N2O5S/c1-3-28-19-13-16(22-21(25)15-7-9-18(24)12-15)8-10-20(19)29(26,27)23-17-6-4-5-14(2)11-17/h4-6,8,10-11,13,15,23H,3,7,9,12H2,1-2H3,(H,22,25)
InChIKeyMTORHCRUXXBMIA-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.50
Rot. Bonds7

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

N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclopentane-1-carboxamide (PubChem CID 170336374) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclopentane-1-carboxamide
PubChem CID170336374
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC NameN-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclopentane-1-carboxamide
SMILESCCOc1cc(NC(=O)C2CCC(=O)C2)ccc1S(=O)(=O)Nc1cccc(C)c1
InChIInChI=1S/C21H24N2O5S/c1-3-28-19-13-16(22-21(25)15-7-9-18(24)12-15)8-10-20(19)29(26,27)23-17-6-4-5-14(2)11-17/h4-6,8,10-11,13,15,23H,3,7,9,12H2,1-2H3,(H,22,25)
InChIKeyMTORHCRUXXBMIA-UHFFFAOYSA-N
XLogP3.50
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclohexane-1-carboxamide
CID 170336459
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-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-4-hydroxy-4-methylcyclohexane-1-carboxamide
CID 169307655
N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide
CID 25335431
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679353
1-butanoyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
CID 55914431
2-cyclopropyl-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-hydroxyacetamide
CID 169308031
N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]cyclohexanecarboxamide
CID 3546890
(1R)-N-(3-fluorophenyl)-3-oxocyclopentane-1-carboxamide
CID 129348991
(1S,6R)-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-6-(hydroxymethyl)cyclohex-3-ene-1-carboxamide
CID 169307967
(2S)-2-cyclopentyl-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-hydroxyacetamide
CID 169307931

Frequently Asked Questions

What is the IUPAC name of N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclopentane-1-carboxamide?
The IUPAC name of N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclopentane-1-carboxamide (CID 170336374) is N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclopentane-1-carboxamide?
The canonical SMILES for N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclopentane-1-carboxamide is CCOc1cc(NC(=O)C2CCC(=O)C2)ccc1S(=O)(=O)Nc1cccc(C)c1.
What is the InChIKey of N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclopentane-1-carboxamide?
The InChIKey is MTORHCRUXXBMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-3-28-19-13-16(22-21(25)15-7-9-18(24)12-15)8-10-20(19)29(26,27)23-17-6-4-5-14(2)11-17/h4-6,8,10-11,13,15,23H,3,7,9,12H2,1-2H3,(H,22,25).
What are the key properties of N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclopentane-1-carboxamide?
N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclopentane-1-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 3.50, 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-oxocyclopentane-1-carboxamide is sourced from PubChem (CID 170336374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).