4-ethyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide

C18H24N2O3S2 — CID 55333294

IUPAC4-ethyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)cc1CC
InChIInChI=1S/C18H24N2O3S2/c1-4-6-16-13(5-2)11-17(24-16)18(21)20-12(3)14-7-9-15(10-8-14)25(19,22)23/h7-12H,4-6H2,1-3H3,(H,20,21)(H2,19,22,23)
InChIKeyRRAQOZXYJIOIRY-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.40
Rot. Bonds7

About 4-ethyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide

4-ethyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 55333294) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 4-ethyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
PubChem CID55333294
Molecular FormulaC18H24N2O3S2
Molecular Weight380.54 g/mol
Exact Mass380.12
IUPAC Name4-ethyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)cc1CC
InChIInChI=1S/C18H24N2O3S2/c1-4-6-16-13(5-2)11-17(24-16)18(21)20-12(3)14-7-9-15(10-8-14)25(19,22)23/h7-12H,4-6H2,1-3H3,(H,20,21)(H2,19,22,23)
InChIKeyRRAQOZXYJIOIRY-UHFFFAOYSA-N
XLogP3.40
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propylthiophene-2-carboxamide
CID 55433085
5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 2594407
N-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-4-ethyl-5-propylthiophene-2-carboxamide
CID 97098923
5,5-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-6,7-dihydro-4H-1-benzothiophene-2-carboxamide
CID 119032991
1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea
CID 129375380
(2S)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide
CID 124846028
(2R)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide
CID 124846030
5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618162
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
3-methyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 51146589
4-chloro-1-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
CID 31136747
4-ethyl-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-propylthiophene-2-carboxamide
CID 55389618

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4-ethyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide (CID 55333294) is 4-ethyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide is CCCc1sc(C(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)cc1CC.
What is the InChIKey of 4-ethyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is RRAQOZXYJIOIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-4-6-16-13(5-2)11-17(24-16)18(21)20-12(3)14-7-9-15(10-8-14)25(19,22)23/h7-12H,4-6H2,1-3H3,(H,20,21)(H2,19,22,23).
What are the key properties of 4-ethyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide?
4-ethyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 380.54 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 55333294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).