5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C17H17F3N2O3S2 — CID 6502778

IUPAC5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2ccccc2C(F)(F)F)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C17H17F3N2O3S2/c1-11-15(27(24,25)22-8-4-5-9-22)10-14(26-11)16(23)21-13-7-3-2-6-12(13)17(18,19)20/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,21,23)
InChIKeyFUWCAPKIHIHXEV-UHFFFAOYSA-N
MW418.46 g/mol
LogP4.11
Rot. Bonds4

About 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide

5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 6502778) has the molecular formula C17H17F3N2O3S2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID6502778
Molecular FormulaC17H17F3N2O3S2
Molecular Weight418.46 g/mol
Exact Mass418.06
IUPAC Name5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2ccccc2C(F)(F)F)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C17H17F3N2O3S2/c1-11-15(27(24,25)22-8-4-5-9-22)10-14(26-11)16(23)21-13-7-3-2-6-12(13)17(18,19)20/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,21,23)
InChIKeyFUWCAPKIHIHXEV-UHFFFAOYSA-N
XLogP4.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 50946761
N-(2,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6502748
N-(3,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6502749
3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2329024
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 6502784
N-butan-2-yl-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6502783
N-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 7688667
N-[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]acetamide
CID 3722785
N-(2-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 53066353
2-[azepan-1-ylsulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30287064
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92647835
N-(2-ethylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26208452

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 6502778) is 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide is Cc1sc(C(=O)Nc2ccccc2C(F)(F)F)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is FUWCAPKIHIHXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S2/c1-11-15(27(24,25)22-8-4-5-9-22)10-14(26-11)16(23)21-13-7-3-2-6-12(13)17(18,19)20/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,21,23).
What are the key properties of 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 6502778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).