N-[2-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C17H16F2N2O3S — CID 4881566

IUPACN-[2-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1OC(F)F)C1CCCN1C(=O)c1cccs1
InChIInChI=1S/C17H16F2N2O3S/c18-17(19)24-13-7-2-1-5-11(13)20-15(22)12-6-3-9-21(12)16(23)14-8-4-10-25-14/h1-2,4-5,7-8,10,12,17H,3,6,9H2,(H,20,22)
InChIKeyHGTQUDCWHGKSGD-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.59
Rot. Bonds5

About N-[2-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

N-[2-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 4881566) has the molecular formula C17H16F2N2O3S and a molecular weight of 366.39 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID4881566
Molecular FormulaC17H16F2N2O3S
Molecular Weight366.39 g/mol
Exact Mass366.08
IUPAC NameN-[2-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1OC(F)F)C1CCCN1C(=O)c1cccs1
InChIInChI=1S/C17H16F2N2O3S/c18-17(19)24-13-7-2-1-5-11(13)20-15(22)12-6-3-9-21(12)16(23)14-8-4-10-25-14/h1-2,4-5,7-8,10,12,17H,3,6,9H2,(H,20,22)
InChIKeyHGTQUDCWHGKSGD-UHFFFAOYSA-N
XLogP3.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-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 N-[2-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 4881566) is N-[2-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is O=C(Nc1ccccc1OC(F)F)C1CCCN1C(=O)c1cccs1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is HGTQUDCWHGKSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3S/c18-17(19)24-13-7-2-1-5-11(13)20-15(22)12-6-3-9-21(12)16(23)14-8-4-10-25-14/h1-2,4-5,7-8,10,12,17H,3,6,9H2,(H,20,22).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
N-[2-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 366.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 4881566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).