N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-phenylthiadiazole-4-carboxamide

C19H18N4O2S — CID 24792276

IUPACN-[2-oxo-2-(2-phenylethylamino)ethyl]-N-phenylthiadiazole-4-carboxamide
SMILESO=C(CN(C(=O)c1csnn1)c1ccccc1)NCCc1ccccc1
InChIInChI=1S/C19H18N4O2S/c24-18(20-12-11-15-7-3-1-4-8-15)13-23(16-9-5-2-6-10-16)19(25)17-14-26-22-21-17/h1-10,14H,11-13H2,(H,20,24)
InChIKeyPTWDETGYOOKEKL-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.54
Rot. Bonds7

About N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-phenylthiadiazole-4-carboxamide

N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-phenylthiadiazole-4-carboxamide (PubChem CID 24792276) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-phenylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2-phenylethylamino)ethyl]-N-phenylthiadiazole-4-carboxamide
PubChem CID24792276
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-[2-oxo-2-(2-phenylethylamino)ethyl]-N-phenylthiadiazole-4-carboxamide
SMILESO=C(CN(C(=O)c1csnn1)c1ccccc1)NCCc1ccccc1
InChIInChI=1S/C19H18N4O2S/c24-18(20-12-11-15-7-3-1-4-8-15)13-23(16-9-5-2-6-10-16)19(25)17-14-26-22-21-17/h1-10,14H,11-13H2,(H,20,24)
InChIKeyPTWDETGYOOKEKL-UHFFFAOYSA-N
XLogP2.54
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-[3,5-bis(trifluoromethyl)phenyl]propylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide
CID 3010077
N-[4-[1-[3,5-bis(trifluoromethyl)phenyl]butylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide
CID 3010078
[1,2,3]Thiadiazole-4-carboxylic acid [cyclopentylcarbamoyl-(2-fluoro-phenyl)-methyl]-cyclopropyl-amide
CID 3222363
N-[4-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide
CID 3010074
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
[1,2,3]Thiadiazole-4-carboxylic acid (benzylcarbamoyl-methyl)-(2-chloro-benzyl)-amide
CID 1445672
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

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-phenylthiadiazole-4-carboxamide?
The IUPAC name of N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-phenylthiadiazole-4-carboxamide (CID 24792276) is N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-phenylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-phenylthiadiazole-4-carboxamide?
The canonical SMILES for N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-phenylthiadiazole-4-carboxamide is O=C(CN(C(=O)c1csnn1)c1ccccc1)NCCc1ccccc1.
What is the InChIKey of N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-phenylthiadiazole-4-carboxamide?
The InChIKey is PTWDETGYOOKEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c24-18(20-12-11-15-7-3-1-4-8-15)13-23(16-9-5-2-6-10-16)19(25)17-14-26-22-21-17/h1-10,14H,11-13H2,(H,20,24).
What are the key properties of N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-phenylthiadiazole-4-carboxamide?
N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-phenylthiadiazole-4-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 2.54, 7 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-phenylthiadiazole-4-carboxamide is sourced from PubChem (CID 24792276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).