N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-fluoro-2-pyridinyl)-N-methylbenzamide

C17H17FN2O3S — CID 126425276

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-fluoro-2-pyridinyl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(-c2ncccc2F)c1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H17FN2O3S/c1-20(14-7-9-24(22,23)11-14)17(21)13-5-2-4-12(10-13)16-15(18)6-3-8-19-16/h2-6,8,10,14H,7,9,11H2,1H3/t14-/m1/s1
InChIKeyKICUNOBQEBXHCX-CQSZACIVSA-N
MW348.40 g/mol
LogP2.15
Rot. Bonds3

About N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-fluoro-2-pyridinyl)-N-methylbenzamide

N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-fluoro-2-pyridinyl)-N-methylbenzamide (PubChem CID 126425276) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-fluoro-2-pyridinyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-fluoro-2-pyridinyl)-N-methylbenzamide
PubChem CID126425276
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-fluoro-2-pyridinyl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(-c2ncccc2F)c1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H17FN2O3S/c1-20(14-7-9-24(22,23)11-14)17(21)13-5-2-4-12(10-13)16-15(18)6-3-8-19-16/h2-6,8,10,14H,7,9,11H2,1H3/t14-/m1/s1
InChIKeyKICUNOBQEBXHCX-CQSZACIVSA-N
XLogP2.15
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7259724
N-(1,1-dioxothiolan-3-yl)-2-(2-fluoroanilino)-N-methylpyridine-4-carboxamide
CID 109173425
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 154804963
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide
CID 4605115
4-(3-fluoro-2-pyridinyl)-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
CID 126434542
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 124985180
N-(1,1-dioxothiolan-3-yl)-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105380416
N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethoxy-N-methylbenzamide
CID 7259607
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24679427
N-(1,1-dioxothiolan-3-yl)-6-(2-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109159499
N-[(3S)-1,1-dioxothiolan-3-yl]-6-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 124960685

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-fluoro-2-pyridinyl)-N-methylbenzamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-fluoro-2-pyridinyl)-N-methylbenzamide (CID 126425276) is N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-fluoro-2-pyridinyl)-N-methylbenzamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-fluoro-2-pyridinyl)-N-methylbenzamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-fluoro-2-pyridinyl)-N-methylbenzamide is CN(C(=O)c1cccc(-c2ncccc2F)c1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-fluoro-2-pyridinyl)-N-methylbenzamide?
The InChIKey is KICUNOBQEBXHCX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-20(14-7-9-24(22,23)11-14)17(21)13-5-2-4-12(10-13)16-15(18)6-3-8-19-16/h2-6,8,10,14H,7,9,11H2,1H3/t14-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-fluoro-2-pyridinyl)-N-methylbenzamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-fluoro-2-pyridinyl)-N-methylbenzamide has a molecular weight of 348.40 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-fluoro-2-pyridinyl)-N-methylbenzamide is sourced from PubChem (CID 126425276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).