5-(cyclopropanecarbonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide

C12H13F3N2O3S — CID 103723102

IUPAC5-(cyclopropanecarbonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C12H13F3N2O3S/c13-12(14,15)8(18)5-16-11(20)7-3-4-9(21-7)17-10(19)6-1-2-6/h3-4,6,8,18H,1-2,5H2,(H,16,20)(H,17,19)
InChIKeyBXNORTNHGMSHHG-UHFFFAOYSA-N
MW322.31 g/mol
LogP1.75
Rot. Bonds5

About 5-(cyclopropanecarbonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide (PubChem CID 103723102) has the molecular formula C12H13F3N2O3S and a molecular weight of 322.31 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide
PubChem CID103723102
Molecular FormulaC12H13F3N2O3S
Molecular Weight322.31 g/mol
Exact Mass322.06
IUPAC Name5-(cyclopropanecarbonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C12H13F3N2O3S/c13-12(14,15)8(18)5-16-11(20)7-3-4-9(21-7)17-10(19)6-1-2-6/h3-4,6,8,18H,1-2,5H2,(H,16,20)(H,17,19)
InChIKeyBXNORTNHGMSHHG-UHFFFAOYSA-N
XLogP1.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide (CID 103723102) is 5-(cyclopropanecarbonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide is O=C(NCC(O)C(F)(F)F)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide?
The InChIKey is BXNORTNHGMSHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3S/c13-12(14,15)8(18)5-16-11(20)7-3-4-9(21-7)17-10(19)6-1-2-6/h3-4,6,8,18H,1-2,5H2,(H,16,20)(H,17,19).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide has a molecular weight of 322.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide is sourced from PubChem (CID 103723102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).