[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate

C18H21N3O4S — CID 8535773

IUPAC[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
SMILESCCc1nnsc1C(=O)OCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H21N3O4S/c1-5-13-15(26-21-20-13)17(24)25-10-14(22)19-16(23)11-6-8-12(9-7-11)18(2,3)4/h6-9H,5,10H2,1-4H3,(H,19,22,23)
InChIKeyKSZQBLOFSWFYJQ-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.51
Rot. Bonds5

About [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate

[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate (PubChem CID 8535773) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate.

Molecular Properties

Compound Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
PubChem CID8535773
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
SMILESCCc1nnsc1C(=O)OCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H21N3O4S/c1-5-13-15(26-21-20-13)17(24)25-10-14(22)19-16(23)11-6-8-12(9-7-11)18(2,3)4/h6-9H,5,10H2,1-4H3,(H,19,22,23)
InChIKeyKSZQBLOFSWFYJQ-UHFFFAOYSA-N
XLogP2.51
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-methylbenzoate
CID 7696392
[2-(4-acetamidophenyl)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535449
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] propanoate
CID 7851351
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-bromobenzoate
CID 7889691
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950882
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8534727
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535330
[2-(3,4-diethoxyanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535714
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] furan-2-carboxylate
CID 7814464
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535641
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8534701
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 7508565

Frequently Asked Questions

What is the IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
The IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate (CID 8535773) is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate.
What is the SMILES notation for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
The canonical SMILES for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate is CCc1nnsc1C(=O)OCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
The InChIKey is KSZQBLOFSWFYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-5-13-15(26-21-20-13)17(24)25-10-14(22)19-16(23)11-6-8-12(9-7-11)18(2,3)4/h6-9H,5,10H2,1-4H3,(H,19,22,23).
What are the key properties of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate?
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate has a molecular weight of 375.45 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate is sourced from PubChem (CID 8535773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).