3-(difluoromethoxy)-5-methyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide

C14H18F2N2O3S — CID 95899594

IUPAC3-(difluoromethoxy)-5-methyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
SMILESCc1cc(OC(F)F)c(C(=O)N[C@@H](C)CN2CCCC2=O)s1
InChIInChI=1S/C14H18F2N2O3S/c1-8(7-18-5-3-4-11(18)19)17-13(20)12-10(21-14(15)16)6-9(2)22-12/h6,8,14H,3-5,7H2,1-2H3,(H,17,20)/t8-/m0/s1
InChIKeyLDUQBHUZSBPPKN-QMMMGPOBSA-N
MW332.37 g/mol
LogP2.40
Rot. Bonds6

About 3-(difluoromethoxy)-5-methyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide

3-(difluoromethoxy)-5-methyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide (PubChem CID 95899594) has the molecular formula C14H18F2N2O3S and a molecular weight of 332.37 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-methyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-methyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
PubChem CID95899594
Molecular FormulaC14H18F2N2O3S
Molecular Weight332.37 g/mol
Exact Mass332.10
IUPAC Name3-(difluoromethoxy)-5-methyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
SMILESCc1cc(OC(F)F)c(C(=O)N[C@@H](C)CN2CCCC2=O)s1
InChIInChI=1S/C14H18F2N2O3S/c1-8(7-18-5-3-4-11(18)19)17-13(20)12-10(21-14(15)16)6-9(2)22-12/h6,8,14H,3-5,7H2,1-2H3,(H,17,20)/t8-/m0/s1
InChIKeyLDUQBHUZSBPPKN-QMMMGPOBSA-N
XLogP2.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(difluoromethoxy)-5-methyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-methyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 3-(difluoromethoxy)-5-methyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide (CID 95899594) is 3-(difluoromethoxy)-5-methyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-(difluoromethoxy)-5-methyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-(difluoromethoxy)-5-methyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide is Cc1cc(OC(F)F)c(C(=O)N[C@@H](C)CN2CCCC2=O)s1.
What is the InChIKey of 3-(difluoromethoxy)-5-methyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide?
The InChIKey is LDUQBHUZSBPPKN-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H18F2N2O3S/c1-8(7-18-5-3-4-11(18)19)17-13(20)12-10(21-14(15)16)6-9(2)22-12/h6,8,14H,3-5,7H2,1-2H3,(H,17,20)/t8-/m0/s1.
What are the key properties of 3-(difluoromethoxy)-5-methyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide?
3-(difluoromethoxy)-5-methyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5-methyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 95899594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).