3,5-difluoro-N-[2-oxo-2-(thiadiazol-5-ylamino)ethyl]benzamide

C11H8F2N4O2S — CID 99826245

IUPAC3,5-difluoro-N-[2-oxo-2-(thiadiazol-5-ylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1cc(F)cc(F)c1)Nc1cnns1
InChIInChI=1S/C11H8F2N4O2S/c12-7-1-6(2-8(13)3-7)11(19)14-4-9(18)16-10-5-15-17-20-10/h1-3,5H,4H2,(H,14,19)(H,16,18)
InChIKeyUYTRXUCNSBBRLY-UHFFFAOYSA-N
MW298.27 g/mol
LogP1.18
Rot. Bonds4

About 3,5-difluoro-N-[2-oxo-2-(thiadiazol-5-ylamino)ethyl]benzamide

3,5-difluoro-N-[2-oxo-2-(thiadiazol-5-ylamino)ethyl]benzamide (PubChem CID 99826245) has the molecular formula C11H8F2N4O2S and a molecular weight of 298.27 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-oxo-2-(thiadiazol-5-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[2-oxo-2-(thiadiazol-5-ylamino)ethyl]benzamide
PubChem CID99826245
Molecular FormulaC11H8F2N4O2S
Molecular Weight298.27 g/mol
Exact Mass298.03
IUPAC Name3,5-difluoro-N-[2-oxo-2-(thiadiazol-5-ylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1cc(F)cc(F)c1)Nc1cnns1
InChIInChI=1S/C11H8F2N4O2S/c12-7-1-6(2-8(13)3-7)11(19)14-4-9(18)16-10-5-15-17-20-10/h1-3,5H,4H2,(H,14,19)(H,16,18)
InChIKeyUYTRXUCNSBBRLY-UHFFFAOYSA-N
XLogP1.18
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(3,5-difluorobenzoyl)amino]acetyl]amino]acetic acid
CID 43387598
3,5-difluoro-N-(2-oxopropyl)benzamide
CID 64997120
4-oxo-N-(thiadiazol-5-yl)pentanamide
CID 107649834
(3,5-difluorophenyl)-(thiadiazol-5-yl)methanone
CID 105095106
3-bromo-5-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 110614679
N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3,5-difluorobenzamide
CID 111483465
3-amino-N-(thiadiazol-5-yl)benzamide
CID 114911458
3-fluoro-5-methyl-N-(2-methylprop-2-enyl)benzamide
CID 114618286
N-[2-(2,6-diethylanilino)-2-oxoethyl]-3-fluorobenzamide
CID 112997286
3-chloro-N-(thiadiazol-5-ylcarbamoyl)propanamide
CID 107649871
3,5-difluoro-N-[2-oxo-2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]benzamide
CID 49493945
N-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 55596801

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[2-oxo-2-(thiadiazol-5-ylamino)ethyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[2-oxo-2-(thiadiazol-5-ylamino)ethyl]benzamide (CID 99826245) is 3,5-difluoro-N-[2-oxo-2-(thiadiazol-5-ylamino)ethyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[2-oxo-2-(thiadiazol-5-ylamino)ethyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[2-oxo-2-(thiadiazol-5-ylamino)ethyl]benzamide is O=C(CNC(=O)c1cc(F)cc(F)c1)Nc1cnns1.
What is the InChIKey of 3,5-difluoro-N-[2-oxo-2-(thiadiazol-5-ylamino)ethyl]benzamide?
The InChIKey is UYTRXUCNSBBRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4O2S/c12-7-1-6(2-8(13)3-7)11(19)14-4-9(18)16-10-5-15-17-20-10/h1-3,5H,4H2,(H,14,19)(H,16,18).
What are the key properties of 3,5-difluoro-N-[2-oxo-2-(thiadiazol-5-ylamino)ethyl]benzamide?
3,5-difluoro-N-[2-oxo-2-(thiadiazol-5-ylamino)ethyl]benzamide has a molecular weight of 298.27 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[2-oxo-2-(thiadiazol-5-ylamino)ethyl]benzamide is sourced from PubChem (CID 99826245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).