3-(difluoromethoxy)-N-[(1S,2R)-2-methoxycyclopentyl]thiophene-2-carboxamide

C12H15F2NO3S — CID 124848819

IUPAC3-(difluoromethoxy)-N-[(1S,2R)-2-methoxycyclopentyl]thiophene-2-carboxamide
SMILESCO[C@@H]1CCC[C@@H]1NC(=O)c1sccc1OC(F)F
InChIInChI=1S/C12H15F2NO3S/c1-17-8-4-2-3-7(8)15-11(16)10-9(5-6-19-10)18-12(13)14/h5-8,12H,2-4H2,1H3,(H,15,16)/t7-,8+/m0/s1
InChIKeyNLUSTQPVSVTUSC-JGVFFNPUSA-N
MW291.32 g/mol
LogP2.65
Rot. Bonds5

About 3-(difluoromethoxy)-N-[(1S,2R)-2-methoxycyclopentyl]thiophene-2-carboxamide

3-(difluoromethoxy)-N-[(1S,2R)-2-methoxycyclopentyl]thiophene-2-carboxamide (PubChem CID 124848819) has the molecular formula C12H15F2NO3S and a molecular weight of 291.32 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[(1S,2R)-2-methoxycyclopentyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[(1S,2R)-2-methoxycyclopentyl]thiophene-2-carboxamide
PubChem CID124848819
Molecular FormulaC12H15F2NO3S
Molecular Weight291.32 g/mol
Exact Mass291.07
IUPAC Name3-(difluoromethoxy)-N-[(1S,2R)-2-methoxycyclopentyl]thiophene-2-carboxamide
SMILESCO[C@@H]1CCC[C@@H]1NC(=O)c1sccc1OC(F)F
InChIInChI=1S/C12H15F2NO3S/c1-17-8-4-2-3-7(8)15-11(16)10-9(5-6-19-10)18-12(13)14/h5-8,12H,2-4H2,1H3,(H,15,16)/t7-,8+/m0/s1
InChIKeyNLUSTQPVSVTUSC-JGVFFNPUSA-N
XLogP2.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[(1S,2R)-2-methoxycyclopentyl]thiophene-2-carboxamide?
The IUPAC name of 3-(difluoromethoxy)-N-[(1S,2R)-2-methoxycyclopentyl]thiophene-2-carboxamide (CID 124848819) is 3-(difluoromethoxy)-N-[(1S,2R)-2-methoxycyclopentyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[(1S,2R)-2-methoxycyclopentyl]thiophene-2-carboxamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[(1S,2R)-2-methoxycyclopentyl]thiophene-2-carboxamide is CO[C@@H]1CCC[C@@H]1NC(=O)c1sccc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-N-[(1S,2R)-2-methoxycyclopentyl]thiophene-2-carboxamide?
The InChIKey is NLUSTQPVSVTUSC-JGVFFNPUSA-N. The full InChI is InChI=1S/C12H15F2NO3S/c1-17-8-4-2-3-7(8)15-11(16)10-9(5-6-19-10)18-12(13)14/h5-8,12H,2-4H2,1H3,(H,15,16)/t7-,8+/m0/s1.
What are the key properties of 3-(difluoromethoxy)-N-[(1S,2R)-2-methoxycyclopentyl]thiophene-2-carboxamide?
3-(difluoromethoxy)-N-[(1S,2R)-2-methoxycyclopentyl]thiophene-2-carboxamide has a molecular weight of 291.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[(1S,2R)-2-methoxycyclopentyl]thiophene-2-carboxamide is sourced from PubChem (CID 124848819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).