N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide

C18H23F2N3O3S2 — CID 58808606

IUPACN-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
SMILESCCc1cc(-c2ccc(S(=O)(=O)NCCN3CCC(F)(F)C3)s2)c(C)[nH]c1=O
InChIInChI=1S/C18H23F2N3O3S2/c1-3-13-10-14(12(2)22-17(13)24)15-4-5-16(27-15)28(25,26)21-7-9-23-8-6-18(19,20)11-23/h4-5,10,21H,3,6-9,11H2,1-2H3,(H,22,24)
InChIKeyYKMOEQNYCVFODM-UHFFFAOYSA-N
MW431.53 g/mol
LogP2.59
Rot. Bonds7

About N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide

N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide (PubChem CID 58808606) has the molecular formula C18H23F2N3O3S2 and a molecular weight of 431.53 g/mol. Its IUPAC name is N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
PubChem CID58808606
Molecular FormulaC18H23F2N3O3S2
Molecular Weight431.53 g/mol
Exact Mass431.11
IUPAC NameN-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
SMILESCCc1cc(-c2ccc(S(=O)(=O)NCCN3CCC(F)(F)C3)s2)c(C)[nH]c1=O
InChIInChI=1S/C18H23F2N3O3S2/c1-3-13-10-14(12(2)22-17(13)24)15-4-5-16(27-15)28(25,26)21-7-9-23-8-6-18(19,20)11-23/h4-5,10,21H,3,6-9,11H2,1-2H3,(H,22,24)
InChIKeyYKMOEQNYCVFODM-UHFFFAOYSA-N
XLogP2.59
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide 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-(3,3-difluoropyrrolidin-1-yl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide (CID 58808606) is N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide is CCc1cc(-c2ccc(S(=O)(=O)NCCN3CCC(F)(F)C3)s2)c(C)[nH]c1=O.
What is the InChIKey of N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide?
The InChIKey is YKMOEQNYCVFODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O3S2/c1-3-13-10-14(12(2)22-17(13)24)15-4-5-16(27-15)28(25,26)21-7-9-23-8-6-18(19,20)11-23/h4-5,10,21H,3,6-9,11H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide?
N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide has a molecular weight of 431.53 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 58808606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).