N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide

C16H19N3O3S — CID 92824814

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide
SMILESCCc1nnc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)s1
InChIInChI=1S/C16H19N3O3S/c1-2-14-18-19-16(23-14)17-15(20)11-5-3-6-12(9-11)22-10-13-7-4-8-21-13/h3,5-6,9,13H,2,4,7-8,10H2,1H3,(H,17,19,20)/t13-/m1/s1
InChIKeyMDSWYQCNRQGXOP-CYBMUJFWSA-N
MW333.41 g/mol
LogP2.91
Rot. Bonds6

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide (PubChem CID 92824814) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide
PubChem CID92824814
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide
SMILESCCc1nnc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)s1
InChIInChI=1S/C16H19N3O3S/c1-2-14-18-19-16(23-14)17-15(20)11-5-3-6-12(9-11)22-10-13-7-4-8-21-13/h3,5-6,9,13H,2,4,7-8,10H2,1H3,(H,17,19,20)/t13-/m1/s1
InChIKeyMDSWYQCNRQGXOP-CYBMUJFWSA-N
XLogP2.91
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 30798336
N-(3-hydroxy-2-pyridinyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 42939966
methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate
CID 25496492
N-(3-hydroxy-2-pyridinyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 30469054
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 33498591
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 17297204
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
N-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119640288
3-butan-2-yloxy-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17149811
N-(2-aminophenyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119421992
propan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 24633199

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide (CID 92824814) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide is CCc1nnc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The InChIKey is MDSWYQCNRQGXOP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-2-14-18-19-16(23-14)17-15(20)11-5-3-6-12(9-11)22-10-13-7-4-8-21-13/h3,5-6,9,13H,2,4,7-8,10H2,1H3,(H,17,19,20)/t13-/m1/s1.
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide has a molecular weight of 333.41 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 92824814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).