3-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide

C19H24N4O5S — CID 2524027

IUPAC3-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2nnc(CC)s2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C19H24N4O5S/c1-3-16-21-22-19(29-16)20-18(25)13-5-6-14(15(11-13)27-4-2)28-12-17(24)23-7-9-26-10-8-23/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,20,22,25)
InChIKeyVOABIBLVLOIYLF-UHFFFAOYSA-N
MW420.49 g/mol
LogP1.99
Rot. Bonds8

About 3-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide

3-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide (PubChem CID 2524027) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is 3-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
PubChem CID2524027
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC Name3-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2nnc(CC)s2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C19H24N4O5S/c1-3-16-21-22-19(29-16)20-18(25)13-5-6-14(15(11-13)27-4-2)28-12-17(24)23-7-9-26-10-8-23/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,20,22,25)
InChIKeyVOABIBLVLOIYLF-UHFFFAOYSA-N
XLogP1.99
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-Hydroxyethoxy)-4-methoxy-N-[5-(3-trifluoromethylbenzyl)-[1,3,4]thiadiazol-2-yl]benzamide
CID 45270672
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 665378
3,4-diethoxy-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)benzamide
CID 847027
N-{5-[2-(benzylamino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide
CID 1364917
N-(5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
CID 2114670
Furan-2-carboxylic acid [5-(3,4-dimethoxy-phenyl)-[1,3,4]thiadiazol-2-yl]-(2-methoxy-ethyl)-amide
CID 3212736
N-{[5-({[(5-Ethyl-1,3,4-thiadiazol-2-YL)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-YL]methyl}-3,4-dimethoxybenzamide
CID 4103229
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4800977
4-isopropoxy-N-(5-((2-morpholino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
CID 12006133
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 45267483
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 45269218
N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 45273534

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide (CID 2524027) is 3-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide is CCOc1cc(C(=O)Nc2nnc(CC)s2)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of 3-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The InChIKey is VOABIBLVLOIYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-3-16-21-22-19(29-16)20-18(25)13-5-6-14(15(11-13)27-4-2)28-12-17(24)23-7-9-26-10-8-23/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,20,22,25).
What are the key properties of 3-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
3-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide has a molecular weight of 420.49 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide is sourced from PubChem (CID 2524027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).