4-ethyl-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]thiadiazole-5-carboxamide

C20H20N4O4S — CID 55865042

IUPAC4-ethyl-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1cccc(NC(=O)COc2ccccc2OC)c1
InChIInChI=1S/C20H20N4O4S/c1-3-15-19(29-24-23-15)20(26)22-14-8-6-7-13(11-14)21-18(25)12-28-17-10-5-4-9-16(17)27-2/h4-11H,3,12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyOQSBKHSZQXQQLR-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.38
Rot. Bonds8

About 4-ethyl-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]thiadiazole-5-carboxamide

4-ethyl-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]thiadiazole-5-carboxamide (PubChem CID 55865042) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is 4-ethyl-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]thiadiazole-5-carboxamide
PubChem CID55865042
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name4-ethyl-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1cccc(NC(=O)COc2ccccc2OC)c1
InChIInChI=1S/C20H20N4O4S/c1-3-15-19(29-24-23-15)20(26)22-14-8-6-7-13(11-14)21-18(25)12-28-17-10-5-4-9-16(17)27-2/h4-11H,3,12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyOQSBKHSZQXQQLR-UHFFFAOYSA-N
XLogP3.38
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide
CID 46522307
4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
CID 9192445
4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide
CID 60693400
2,5-dimethoxy-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]benzamide
CID 55886827
2-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpentanamide;hydrochloride
CID 119739656
N-(2-carbamothioyl-6-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 107468519
4-ethyl-N-(3-sulfamoylphenyl)thiadiazole-5-carboxamide
CID 60692504
1-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119298259
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-(4-methylphenyl)propanamide
CID 60535941
[2-(3,4-diethoxyanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535714
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-nitrobenzamide
CID 55865426
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55887228

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]thiadiazole-5-carboxamide (CID 55865042) is 4-ethyl-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1cccc(NC(=O)COc2ccccc2OC)c1.
What is the InChIKey of 4-ethyl-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]thiadiazole-5-carboxamide?
The InChIKey is OQSBKHSZQXQQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-3-15-19(29-24-23-15)20(26)22-14-8-6-7-13(11-14)21-18(25)12-28-17-10-5-4-9-16(17)27-2/h4-11H,3,12H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 4-ethyl-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]thiadiazole-5-carboxamide?
4-ethyl-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]thiadiazole-5-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 55865042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).