N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide

C22H24N4O2S — CID 3221954

IUPACN-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide
SMILESCC(C)c1ccc(N(CC(=O)NCCc2ccccc2)C(=O)c2csnn2)cc1
InChIInChI=1S/C22H24N4O2S/c1-16(2)18-8-10-19(11-9-18)26(22(28)20-15-29-25-24-20)14-21(27)23-13-12-17-6-4-3-5-7-17/h3-11,15-16H,12-14H2,1-2H3,(H,23,27)
InChIKeyMNVJIKFKNYONMJ-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.67
Rot. Bonds8

About N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide

N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide (PubChem CID 3221954) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide
PubChem CID3221954
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide
SMILESCC(C)c1ccc(N(CC(=O)NCCc2ccccc2)C(=O)c2csnn2)cc1
InChIInChI=1S/C22H24N4O2S/c1-16(2)18-8-10-19(11-9-18)26(22(28)20-15-29-25-24-20)14-21(27)23-13-12-17-6-4-3-5-7-17/h3-11,15-16H,12-14H2,1-2H3,(H,23,27)
InChIKeyMNVJIKFKNYONMJ-UHFFFAOYSA-N
XLogP3.67
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-3-Methyl-2-{4''-[([1,2,3]thiadiazole-4-carbonyl)-amino]-biphenyl-4-sulfonylamino}-butyric acid
CID 11374591
N-(4-Isopropylphenyl)-1,2,3-thiadiazole-4-carboxamide
CID 645728
[1,2,3]Thiadiazole-4-carboxylic acid [tert-butylcarbamoyl-(4-dimethylamino-phenyl)-methyl]-cyclopropyl-amide
CID 648193
N-(3,4-dimethylphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
CID 1452284
N-(4-ethylphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
CID 1452372
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide
CID 1452399
[1,2,3]Thiadiazole-4-carboxylic acid [cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl]-phenyl-amide
CID 3219165
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 3219191
N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(2-phenylphenyl)thiadiazole-4-carboxamide
CID 3222136
N-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]thiadiazole-4-carboxamide
CID 3222295
[1,2,3]Thiadiazole-4-carboxylic acid [(4-fluoro-benzylcarbamoyl)-methyl]-(2-m-tolyl-ethyl)-amide
CID 3222305
[1,2,3]Thiadiazole-4-carboxylic acid [cyclohexylcarbamoyl-(4-isopropyl-phenyl)-methyl]-cyclopropyl-amide
CID 3222380

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide (CID 3221954) is N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide is CC(C)c1ccc(N(CC(=O)NCCc2ccccc2)C(=O)c2csnn2)cc1.
What is the InChIKey of N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide?
The InChIKey is MNVJIKFKNYONMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-16(2)18-8-10-19(11-9-18)26(22(28)20-15-29-25-24-20)14-21(27)23-13-12-17-6-4-3-5-7-17/h3-11,15-16H,12-14H2,1-2H3,(H,23,27).
What are the key properties of N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide?
N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3221954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).