4-ethyl-5-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide

C18H22N2O3S2 — CID 9414960

IUPAC4-ethyl-5-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
SMILESCCc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)sc1C
InChIInChI=1S/C18H22N2O3S2/c1-3-14-11-17(24-13(14)2)18(21)19-15-7-6-8-16(12-15)25(22,23)20-9-4-5-10-20/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,19,21)
InChIKeyXUOLGIIUKHZMPS-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.66
Rot. Bonds5

About 4-ethyl-5-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide

4-ethyl-5-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide (PubChem CID 9414960) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-ethyl-5-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
PubChem CID9414960
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name4-ethyl-5-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
SMILESCCc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)sc1C
InChIInChI=1S/C18H22N2O3S2/c1-3-14-11-17(24-13(14)2)18(21)19-15-7-6-8-16(12-15)25(22,23)20-9-4-5-10-20/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,19,21)
InChIKeyXUOLGIIUKHZMPS-UHFFFAOYSA-N
XLogP3.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-nitro-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 55575767
5-acetyl-N-[3-(azepan-1-ylsulfonyl)phenyl]thiophene-2-carboxamide
CID 36843795
N-(3-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7926236
4-ethyl-N-(3-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 9412427
N-[3-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzamide
CID 7929786
5-[2-(methanesulfonamido)ethyl]-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 27285599
5-nitro-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 4791478
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-benzothiophene-2-carboxamide
CID 32999319
2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8614711
2,6-difluoro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252564
N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 42996600
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 43029814

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide?
The IUPAC name of 4-ethyl-5-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide (CID 9414960) is 4-ethyl-5-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-5-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-5-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide is CCc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)sc1C.
What is the InChIKey of 4-ethyl-5-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide?
The InChIKey is XUOLGIIUKHZMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-3-14-11-17(24-13(14)2)18(21)19-15-7-6-8-16(12-15)25(22,23)20-9-4-5-10-20/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,19,21).
What are the key properties of 4-ethyl-5-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide?
4-ethyl-5-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 9414960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).