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

C11H11F3N2O2S — CID 18136022

IUPAC5-(cyclopropanecarbonylamino)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C11H11F3N2O2S/c12-11(13,14)5-15-10(18)7-3-4-8(19-7)16-9(17)6-1-2-6/h3-4,6H,1-2,5H2,(H,15,18)(H,16,17)
InChIKeyBBFCYVVVCKOHFC-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.39
Rot. Bonds4

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

5-(cyclopropanecarbonylamino)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 18136022) has the molecular formula C11H11F3N2O2S and a molecular weight of 292.28 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID18136022
Molecular FormulaC11H11F3N2O2S
Molecular Weight292.28 g/mol
Exact Mass292.05
IUPAC Name5-(cyclopropanecarbonylamino)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C11H11F3N2O2S/c12-11(13,14)5-15-10(18)7-3-4-8(19-7)16-9(17)6-1-2-6/h3-4,6H,1-2,5H2,(H,15,18)(H,16,17)
InChIKeyBBFCYVVVCKOHFC-UHFFFAOYSA-N
XLogP2.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 18136022) is 5-(cyclopropanecarbonylamino)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is O=C(NCC(F)(F)F)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is BBFCYVVVCKOHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2S/c12-11(13,14)5-15-10(18)7-3-4-8(19-7)16-9(17)6-1-2-6/h3-4,6H,1-2,5H2,(H,15,18)(H,16,17).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 292.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 18136022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).