3-(difluoromethoxy)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride

C10H13ClF2N2O2S — CID 119454350

IUPAC3-(difluoromethoxy)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1sccc1OC(F)F
InChIInChI=1S/C10H12F2N2O2S.ClH/c11-10(12)16-7-2-4-17-8(7)9(15)14-6-1-3-13-5-6;/h2,4,6,10,13H,1,3,5H2,(H,14,15);1H
InChIKeyCSRQUFPUAXBVKF-UHFFFAOYSA-N
MW298.74 g/mol
LogP1.86
Rot. Bonds4

About 3-(difluoromethoxy)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride

3-(difluoromethoxy)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride (PubChem CID 119454350) has the molecular formula C10H13ClF2N2O2S and a molecular weight of 298.74 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
PubChem CID119454350
Molecular FormulaC10H13ClF2N2O2S
Molecular Weight298.74 g/mol
Exact Mass298.04
IUPAC Name3-(difluoromethoxy)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1sccc1OC(F)F
InChIInChI=1S/C10H12F2N2O2S.ClH/c11-10(12)16-7-2-4-17-8(7)9(15)14-6-1-3-13-5-6;/h2,4,6,10,13H,1,3,5H2,(H,14,15);1H
InChIKeyCSRQUFPUAXBVKF-UHFFFAOYSA-N
XLogP1.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.74
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)thiophene-2-carboxamide
CID 119459623
3-(difluoromethylsulfonyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119450494
3-(difluoromethoxy)-N-[(1S,2R)-2-methoxycyclopentyl]thiophene-2-carboxamide
CID 124848819
N-[2-(cycloheptylamino)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide
CID 119621471
N-(2-amino-1-cyclopropylethyl)-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride
CID 119617828
3-ethyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866507
5-chloro-2-(difluoromethoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386862
2-[4-(difluoromethoxy)phenyl]-N-pyrrolidin-3-ylacetamide
CID 119451451
3-(difluoromethoxy)-N-[3-(methylamino)propyl]thiophene-2-carboxamide
CID 119434283
3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide
CID 111433716
[3-(difluoromethoxy)thiophen-2-yl]-(3-methylpiperazin-1-yl)methanone
CID 119580886
N-pyrrolidin-3-yl-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide;hydrochloride
CID 119451091

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of 3-(difluoromethoxy)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride (CID 119454350) is 3-(difluoromethoxy)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-(difluoromethoxy)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 3-(difluoromethoxy)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride is Cl.O=C(NC1CCNC1)c1sccc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride?
The InChIKey is CSRQUFPUAXBVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2S.ClH/c11-10(12)16-7-2-4-17-8(7)9(15)14-6-1-3-13-5-6;/h2,4,6,10,13H,1,3,5H2,(H,14,15);1H.
What are the key properties of 3-(difluoromethoxy)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride?
3-(difluoromethoxy)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride has a molecular weight of 298.74 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119454350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).