N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethoxy)benzamide

C19H19N3O2S — CID 54787314

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethoxy)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(OCCc3ccccc3)cc2)s1
InChIInChI=1S/C19H19N3O2S/c1-2-17-21-22-19(25-17)20-18(23)15-8-10-16(11-9-15)24-13-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,20,22,23)
InChIKeyLHLWGVCFTQOLBY-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.97
Rot. Bonds7

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethoxy)benzamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethoxy)benzamide (PubChem CID 54787314) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethoxy)benzamide
PubChem CID54787314
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethoxy)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(OCCc3ccccc3)cc2)s1
InChIInChI=1S/C19H19N3O2S/c1-2-17-21-22-19(25-17)20-18(23)15-8-10-16(11-9-15)24-13-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,20,22,23)
InChIKeyLHLWGVCFTQOLBY-UHFFFAOYSA-N
XLogP3.97
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-phenoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 71946201
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
4-(2-phenylethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 4956346
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide
CID 26175377
[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] acetate
CID 1091095
4-chloro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17319563
2-phenylethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
CID 54787323
4-butoxy-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 55527934
4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide
CID 4957348
4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17066999
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethoxy)benzamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethoxy)benzamide (CID 54787314) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethoxy)benzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethoxy)benzamide is CCc1nnc(NC(=O)c2ccc(OCCc3ccccc3)cc2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethoxy)benzamide?
The InChIKey is LHLWGVCFTQOLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-2-17-21-22-19(25-17)20-18(23)15-8-10-16(11-9-15)24-13-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,20,22,23).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethoxy)benzamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethoxy)benzamide has a molecular weight of 353.45 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethoxy)benzamide is sourced from PubChem (CID 54787314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).