N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]thiophene-3-carboxamide

C11H13F3N2O3S — CID 103723171

IUPACN-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)NCC(O)C(F)(F)F
InChIInChI=1S/C11H13F3N2O3S/c12-11(13,14)8(17)5-16-9(18)1-3-15-10(19)7-2-4-20-6-7/h2,4,6,8,17H,1,3,5H2,(H,15,19)(H,16,18)
InChIKeyFBNZNUDQDGGNRN-UHFFFAOYSA-N
MW310.30 g/mol
LogP0.91
Rot. Bonds6

About N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]thiophene-3-carboxamide

N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]thiophene-3-carboxamide (PubChem CID 103723171) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]thiophene-3-carboxamide
PubChem CID103723171
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC NameN-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)NCC(O)C(F)(F)F
InChIInChI=1S/C11H13F3N2O3S/c12-11(13,14)8(17)5-16-9(18)1-3-15-10(19)7-2-4-20-6-7/h2,4,6,8,17H,1,3,5H2,(H,15,19)(H,16,18)
InChIKeyFBNZNUDQDGGNRN-UHFFFAOYSA-N
XLogP0.91
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]thiophene-3-carboxamide (CID 103723171) is N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]thiophene-3-carboxamide is O=C(CCNC(=O)c1ccsc1)NCC(O)C(F)(F)F.
What is the InChIKey of N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]thiophene-3-carboxamide?
The InChIKey is FBNZNUDQDGGNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c12-11(13,14)8(17)5-16-9(18)1-3-15-10(19)7-2-4-20-6-7/h2,4,6,8,17H,1,3,5H2,(H,15,19)(H,16,18).
What are the key properties of N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]thiophene-3-carboxamide?
N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]thiophene-3-carboxamide has a molecular weight of 310.30 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]thiophene-3-carboxamide is sourced from PubChem (CID 103723171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).