N-[4-(difluoromethylsulfanyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C18H16F2N2O2S — CID 26908369

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H16F2N2O2S/c19-18(20)25-15-9-5-13(6-10-15)21-17(24)12-3-7-14(8-4-12)22-11-1-2-16(22)23/h3-10,18H,1-2,11H2,(H,21,24)
InChIKeyHJSHVSVUWYZNTQ-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.38
Rot. Bonds5

About N-[4-(difluoromethylsulfanyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[4-(difluoromethylsulfanyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 26908369) has the molecular formula C18H16F2N2O2S and a molecular weight of 362.40 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID26908369
Molecular FormulaC18H16F2N2O2S
Molecular Weight362.40 g/mol
Exact Mass362.09
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H16F2N2O2S/c19-18(20)25-15-9-5-13(6-10-15)21-17(24)12-3-7-14(8-4-12)22-11-1-2-16(22)23/h3-10,18H,1-2,11H2,(H,21,24)
InChIKeyHJSHVSVUWYZNTQ-UHFFFAOYSA-N
XLogP4.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(difluoromethylsulfanyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
4-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26127679
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26680013
4-(2-oxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922377
methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 8747295
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
N-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9371428
N-(4-acetylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 9242933
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
N-[4-(cyanomethyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9260210
4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 28578210
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 42239391

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 26908369) is N-[4-(difluoromethylsulfanyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(Nc1ccc(SC(F)F)cc1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is HJSHVSVUWYZNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2S/c19-18(20)25-15-9-5-13(6-10-15)21-17(24)12-3-7-14(8-4-12)22-11-1-2-16(22)23/h3-10,18H,1-2,11H2,(H,21,24).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[4-(difluoromethylsulfanyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 362.40 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 26908369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).