5-(cyclopropanecarbonylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C12H13F3N2O2S — CID 47137887

IUPAC5-(cyclopropanecarbonylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)NCC(F)(F)F
InChIInChI=1S/C12H13F3N2O2S/c1-6-4-8(17-10(18)7-2-3-7)20-9(6)11(19)16-5-12(13,14)15/h4,7H,2-3,5H2,1H3,(H,16,19)(H,17,18)
InChIKeyNKPREBKOPZUSCX-UHFFFAOYSA-N
MW306.31 g/mol
LogP2.70
Rot. Bonds4

About 5-(cyclopropanecarbonylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 47137887) has the molecular formula C12H13F3N2O2S and a molecular weight of 306.31 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID47137887
Molecular FormulaC12H13F3N2O2S
Molecular Weight306.31 g/mol
Exact Mass306.06
IUPAC Name5-(cyclopropanecarbonylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)NCC(F)(F)F
InChIInChI=1S/C12H13F3N2O2S/c1-6-4-8(17-10(18)7-2-3-7)20-9(6)11(19)16-5-12(13,14)15/h4,7H,2-3,5H2,1H3,(H,16,19)(H,17,18)
InChIKeyNKPREBKOPZUSCX-UHFFFAOYSA-N
XLogP2.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 47137887) is 5-(cyclopropanecarbonylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is Cc1cc(NC(=O)C2CC2)sc1C(=O)NCC(F)(F)F.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is NKPREBKOPZUSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2S/c1-6-4-8(17-10(18)7-2-3-7)20-9(6)11(19)16-5-12(13,14)15/h4,7H,2-3,5H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-(cyclopropanecarbonylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 306.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 47137887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).