4-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-propylthiophene-2-carboxamide

C18H24N2O4S2 — CID 55389618

IUPAC4-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)cc1CC
InChIInChI=1S/C18H24N2O4S2/c1-5-7-16-13(6-2)12-17(25-16)18(21)19-14-8-10-15(11-9-14)26(22,23)20(3)24-4/h8-12H,5-7H2,1-4H3,(H,19,21)
InChIKeyPHXPAXJQJJGDEZ-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.70
Rot. Bonds8

About 4-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-propylthiophene-2-carboxamide

4-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-propylthiophene-2-carboxamide (PubChem CID 55389618) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is 4-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-propylthiophene-2-carboxamide
PubChem CID55389618
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC Name4-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)cc1CC
InChIInChI=1S/C18H24N2O4S2/c1-5-7-16-13(6-2)12-17(25-16)18(21)19-14-8-10-15(11-9-14)26(22,23)20(3)24-4/h8-12H,5-7H2,1-4H3,(H,19,21)
InChIKeyPHXPAXJQJJGDEZ-UHFFFAOYSA-N
XLogP3.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-(4-methoxy-3-sulfamoylphenyl)-5-propylthiophene-2-carboxamide
CID 9378750
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2,4-dimethylbenzamide
CID 60601161
4-ethyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-5-propylthiophene-2-carboxamide
CID 9374448
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 16512864
N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-4-ethyl-5-propylthiophene-2-carboxamide
CID 32513296
4-ethyl-N-(2-methylphenyl)-5-propylthiophene-2-carboxamide
CID 26914221
N-methoxy-N-methyl-4-propylbenzenesulfonamide
CID 60660891
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 41232959
4-ethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propylthiophene-2-carboxamide
CID 55433085
4-ethyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 55333294
4-ethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propylthiophene-2-carboxamide
CID 9145507
3-fluoro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 37007579

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-propylthiophene-2-carboxamide?
The IUPAC name of 4-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-propylthiophene-2-carboxamide (CID 55389618) is 4-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-propylthiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-propylthiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-propylthiophene-2-carboxamide is CCCc1sc(C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)cc1CC.
What is the InChIKey of 4-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-propylthiophene-2-carboxamide?
The InChIKey is PHXPAXJQJJGDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-5-7-16-13(6-2)12-17(25-16)18(21)19-14-8-10-15(11-9-14)26(22,23)20(3)24-4/h8-12H,5-7H2,1-4H3,(H,19,21).
What are the key properties of 4-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-propylthiophene-2-carboxamide?
4-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-propylthiophene-2-carboxamide has a molecular weight of 396.53 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-propylthiophene-2-carboxamide is sourced from PubChem (CID 55389618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).