N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide

C11H14F2N2O3S — CID 103770460

IUPACN-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)NCC(O)C(F)F
InChIInChI=1S/C11H14F2N2O3S/c12-10(13)8(16)5-15-9(17)1-3-14-11(18)7-2-4-19-6-7/h2,4,6,8,10,16H,1,3,5H2,(H,14,18)(H,15,17)
InChIKeyIETBYYVSHZFOEW-UHFFFAOYSA-N
MW292.31 g/mol
LogP0.61
Rot. Bonds7

About N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 103770460) has the molecular formula C11H14F2N2O3S and a molecular weight of 292.31 g/mol. Its IUPAC name is N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID103770460
Molecular FormulaC11H14F2N2O3S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC NameN-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)NCC(O)C(F)F
InChIInChI=1S/C11H14F2N2O3S/c12-10(13)8(16)5-15-9(17)1-3-14-11(18)7-2-4-19-6-7/h2,4,6,8,10,16H,1,3,5H2,(H,14,18)(H,15,17)
InChIKeyIETBYYVSHZFOEW-UHFFFAOYSA-N
XLogP0.61
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide (CID 103770460) is N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide is O=C(CCNC(=O)c1ccsc1)NCC(O)C(F)F.
What is the InChIKey of N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is IETBYYVSHZFOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3S/c12-10(13)8(16)5-15-9(17)1-3-14-11(18)7-2-4-19-6-7/h2,4,6,8,10,16H,1,3,5H2,(H,14,18)(H,15,17).
What are the key properties of N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 292.31 g/mol, XLogP of 0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 103770460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).