3-(difluoromethoxy)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide

C14H20F2N2O2S — CID 56790566

IUPAC3-(difluoromethoxy)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
SMILESCc1cc(OC(F)F)c(C(=O)N(C)CCN2CCCC2)s1
InChIInChI=1S/C14H20F2N2O2S/c1-10-9-11(20-14(15)16)12(21-10)13(19)17(2)7-8-18-5-3-4-6-18/h9,14H,3-8H2,1-2H3
InChIKeyGCOFSTXXFUKQQD-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.83
Rot. Bonds6

About 3-(difluoromethoxy)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide

3-(difluoromethoxy)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide (PubChem CID 56790566) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
PubChem CID56790566
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC Name3-(difluoromethoxy)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
SMILESCc1cc(OC(F)F)c(C(=O)N(C)CCN2CCCC2)s1
InChIInChI=1S/C14H20F2N2O2S/c1-10-9-11(20-14(15)16)12(21-10)13(19)17(2)7-8-18-5-3-4-6-18/h9,14H,3-8H2,1-2H3
InChIKeyGCOFSTXXFUKQQD-UHFFFAOYSA-N
XLogP2.83
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 3-(difluoromethoxy)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide (CID 56790566) is 3-(difluoromethoxy)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(difluoromethoxy)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(difluoromethoxy)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide is Cc1cc(OC(F)F)c(C(=O)N(C)CCN2CCCC2)s1.
What is the InChIKey of 3-(difluoromethoxy)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The InChIKey is GCOFSTXXFUKQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-10-9-11(20-14(15)16)12(21-10)13(19)17(2)7-8-18-5-3-4-6-18/h9,14H,3-8H2,1-2H3.
What are the key properties of 3-(difluoromethoxy)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
3-(difluoromethoxy)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide has a molecular weight of 318.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 56790566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).