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

C11H14F2N2O3S — CID 104857447

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

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

N-[3-[(2,2-difluoro-3-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 104857447) has the molecular formula C11H14F2N2O3S and a molecular weight of 292.31 g/mol. Its IUPAC name is N-[3-[(2,2-difluoro-3-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,2-difluoro-3-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID104857447
Molecular FormulaC11H14F2N2O3S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC NameN-[3-[(2,2-difluoro-3-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)NCC(F)(F)CO
InChIInChI=1S/C11H14F2N2O3S/c12-11(13,7-16)6-15-9(17)1-3-14-10(18)8-2-4-19-5-8/h2,4-5,16H,1,3,6-7H2,(H,14,18)(H,15,17)
InChIKeyGPVQEUKGPTWSEL-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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CID 60401430
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CID 60436526
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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,2-difluoro-3-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[(2,2-difluoro-3-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide (CID 104857447) is N-[3-[(2,2-difluoro-3-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[(2,2-difluoro-3-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[(2,2-difluoro-3-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide is O=C(CCNC(=O)c1ccsc1)NCC(F)(F)CO.
What is the InChIKey of N-[3-[(2,2-difluoro-3-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is GPVQEUKGPTWSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3S/c12-11(13,7-16)6-15-9(17)1-3-14-10(18)8-2-4-19-5-8/h2,4-5,16H,1,3,6-7H2,(H,14,18)(H,15,17).
What are the key properties of N-[3-[(2,2-difluoro-3-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[(2,2-difluoro-3-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-[(2,2-difluoro-3-hydroxypropyl)amino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 104857447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).