N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-3,4-difluorobenzamide

C18H19F2N3O3S — CID 113014143

IUPACN-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-3,4-difluorobenzamide
SMILESCCN(c1ccc(NC(=O)c2ccc(F)c(F)c2)cn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H19F2N3O3S/c1-2-23(14-7-8-27(25,26)11-14)17-6-4-13(10-21-17)22-18(24)12-3-5-15(19)16(20)9-12/h3-6,9-10,14H,2,7-8,11H2,1H3,(H,22,24)
InChIKeyOMDYKGLQFJJILM-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.63
Rot. Bonds5

About N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-3,4-difluorobenzamide

N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-3,4-difluorobenzamide (PubChem CID 113014143) has the molecular formula C18H19F2N3O3S and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-3,4-difluorobenzamide
PubChem CID113014143
Molecular FormulaC18H19F2N3O3S
Molecular Weight395.43 g/mol
Exact Mass395.11
IUPAC NameN-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-3,4-difluorobenzamide
SMILESCCN(c1ccc(NC(=O)c2ccc(F)c(F)c2)cn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H19F2N3O3S/c1-2-23(14-7-8-27(25,26)11-14)17-6-4-13(10-21-17)22-18(24)12-3-5-15(19)16(20)9-12/h3-6,9-10,14H,2,7-8,11H2,1H3,(H,22,24)
InChIKeyOMDYKGLQFJJILM-UHFFFAOYSA-N
XLogP2.63
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-3,4-difluorobenzamide 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

N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-3,4-dimethylbenzamide
CID 113014133
N-(3,4-difluorophenyl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]pyrimidine-5-carboxamide
CID 109261795
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-4-fluorobenzamide
CID 113013680
N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-2-methoxybenzamide
CID 113014130
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-3,4-dimethylbenzamide
CID 113013684
6-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109160129
N-[6-(N-ethylanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113017591
3-chloro-N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]benzamide
CID 113013695
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-3,4-difluorobenzamide
CID 113043023
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3,4-difluorobenzamide
CID 113028644
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-4-methoxybenzamide
CID 113013683
azepan-1-yl-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]methanone
CID 109160107

Frequently Asked Questions

What is the IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-3,4-difluorobenzamide?
The IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-3,4-difluorobenzamide (CID 113014143) is N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-3,4-difluorobenzamide is CCN(c1ccc(NC(=O)c2ccc(F)c(F)c2)cn1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-3,4-difluorobenzamide?
The InChIKey is OMDYKGLQFJJILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3S/c1-2-23(14-7-8-27(25,26)11-14)17-6-4-13(10-21-17)22-18(24)12-3-5-15(19)16(20)9-12/h3-6,9-10,14H,2,7-8,11H2,1H3,(H,22,24).
What are the key properties of N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-3,4-difluorobenzamide?
N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-3,4-difluorobenzamide has a molecular weight of 395.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-3,4-difluorobenzamide is sourced from PubChem (CID 113014143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).