N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3,4-difluorobenzamide

C16H15F2N3O3S — CID 113028644

IUPACN-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3,4-difluorobenzamide
SMILESO=C(Nc1ccc(NC2CCS(=O)(=O)C2)cn1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H15F2N3O3S/c17-13-3-1-10(7-14(13)18)16(22)21-15-4-2-11(8-19-15)20-12-5-6-25(23,24)9-12/h1-4,7-8,12,20H,5-6,9H2,(H,19,21,22)
InChIKeyWUDOPFLDLRKZIC-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.21
Rot. Bonds4

About N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3,4-difluorobenzamide

N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3,4-difluorobenzamide (PubChem CID 113028644) has the molecular formula C16H15F2N3O3S and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3,4-difluorobenzamide
PubChem CID113028644
Molecular FormulaC16H15F2N3O3S
Molecular Weight367.38 g/mol
Exact Mass367.08
IUPAC NameN-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3,4-difluorobenzamide
SMILESO=C(Nc1ccc(NC2CCS(=O)(=O)C2)cn1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H15F2N3O3S/c17-13-3-1-10(7-14(13)18)16(22)21-15-4-2-11(8-19-15)20-12-5-6-25(23,24)9-12/h1-4,7-8,12,20H,5-6,9H2,(H,19,21,22)
InChIKeyWUDOPFLDLRKZIC-UHFFFAOYSA-N
XLogP2.21
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]benzamide
CID 113028611
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-methoxybenzamide
CID 113028619
N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113013624
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]thiophene-2-carboxamide
CID 113028610
1-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-phenylurea
CID 113028652
N-(4-acetamidophenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159319
N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluorobenzamide
CID 113024447
N-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159297
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-2-phenoxyacetamide
CID 113028633
6-[(1,1-dioxothiolan-3-yl)amino]-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109159281
N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-3,4-difluorobenzamide
CID 113014143
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2,3,4-trifluorobenzamide
CID 113042948

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3,4-difluorobenzamide?
The IUPAC name of N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3,4-difluorobenzamide (CID 113028644) is N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3,4-difluorobenzamide is O=C(Nc1ccc(NC2CCS(=O)(=O)C2)cn1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3,4-difluorobenzamide?
The InChIKey is WUDOPFLDLRKZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O3S/c17-13-3-1-10(7-14(13)18)16(22)21-15-4-2-11(8-19-15)20-12-5-6-25(23,24)9-12/h1-4,7-8,12,20H,5-6,9H2,(H,19,21,22).
What are the key properties of N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3,4-difluorobenzamide?
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3,4-difluorobenzamide has a molecular weight of 367.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3,4-difluorobenzamide is sourced from PubChem (CID 113028644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).