5-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-N-[2-(methylsulfamoyl)ethyl]thiophene-2-carboxamide

C17H27N3O3S2 — CID 45224902

IUPAC5-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-N-[2-(methylsulfamoyl)ethyl]thiophene-2-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)c1ccc(C2CCCN2CC=C(C)C)s1
InChIInChI=1S/C17H27N3O3S2/c1-13(2)8-11-20-10-4-5-14(20)15-6-7-16(24-15)17(21)19-9-12-25(22,23)18-3/h6-8,14,18H,4-5,9-12H2,1-3H3,(H,19,21)
InChIKeyFGGFCPOOBIXUBK-UHFFFAOYSA-N
MW385.56 g/mol
LogP2.13
Rot. Bonds8

About 5-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-N-[2-(methylsulfamoyl)ethyl]thiophene-2-carboxamide

5-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-N-[2-(methylsulfamoyl)ethyl]thiophene-2-carboxamide (PubChem CID 45224902) has the molecular formula C17H27N3O3S2 and a molecular weight of 385.56 g/mol. Its IUPAC name is 5-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-N-[2-(methylsulfamoyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-N-[2-(methylsulfamoyl)ethyl]thiophene-2-carboxamide
PubChem CID45224902
Molecular FormulaC17H27N3O3S2
Molecular Weight385.56 g/mol
Exact Mass385.15
IUPAC Name5-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-N-[2-(methylsulfamoyl)ethyl]thiophene-2-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)c1ccc(C2CCCN2CC=C(C)C)s1
InChIInChI=1S/C17H27N3O3S2/c1-13(2)8-11-20-10-4-5-14(20)15-6-7-16(24-15)17(21)19-9-12-25(22,23)18-3/h6-8,14,18H,4-5,9-12H2,1-3H3,(H,19,21)
InChIKeyFGGFCPOOBIXUBK-UHFFFAOYSA-N
XLogP2.13
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 45192185
5-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide
CID 45227389
5-[(2R)-1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide
CID 30897706
5-[(2S)-1-propylpyrrolidin-2-yl]-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]thiophene-2-carboxamide
CID 30956731
5-[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide
CID 45245622
5-(1-propylpyrrolidin-2-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]thiophene-2-carboxamide
CID 45199086
5-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)thiophene-2-carboxamide
CID 72923589
5-[(2R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 28882648
N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[1-[(E)-hex-2-enyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45197540
5-[(2R)-1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 30854184
5-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1H-imidazol-2-ylmethyl)thiophene-2-carboxamide
CID 29023222
N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 28698360

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-N-[2-(methylsulfamoyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-N-[2-(methylsulfamoyl)ethyl]thiophene-2-carboxamide (CID 45224902) is 5-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-N-[2-(methylsulfamoyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-N-[2-(methylsulfamoyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-N-[2-(methylsulfamoyl)ethyl]thiophene-2-carboxamide is CNS(=O)(=O)CCNC(=O)c1ccc(C2CCCN2CC=C(C)C)s1.
What is the InChIKey of 5-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-N-[2-(methylsulfamoyl)ethyl]thiophene-2-carboxamide?
The InChIKey is FGGFCPOOBIXUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S2/c1-13(2)8-11-20-10-4-5-14(20)15-6-7-16(24-15)17(21)19-9-12-25(22,23)18-3/h6-8,14,18H,4-5,9-12H2,1-3H3,(H,19,21).
What are the key properties of 5-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-N-[2-(methylsulfamoyl)ethyl]thiophene-2-carboxamide?
5-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-N-[2-(methylsulfamoyl)ethyl]thiophene-2-carboxamide has a molecular weight of 385.56 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-N-[2-(methylsulfamoyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 45224902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).