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

C25H28N4O2S — CID 3221963

IUPACN-(4-cyclohexylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
SMILESO=C(CN(C(=O)c1csnn1)c1ccc(C2CCCCC2)cc1)NCCc1ccccc1
InChIInChI=1S/C25H28N4O2S/c30-24(26-16-15-19-7-3-1-4-8-19)17-29(25(31)23-18-32-28-27-23)22-13-11-21(12-14-22)20-9-5-2-6-10-20/h1,3-4,7-8,11-14,18,20H,2,5-6,9-10,15-17H2,(H,26,30)
InChIKeyYLKVFDXDKLHOQT-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.59
Rot. Bonds8

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

N-(4-cyclohexylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide (PubChem CID 3221963) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
PubChem CID3221963
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC NameN-(4-cyclohexylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
SMILESO=C(CN(C(=O)c1csnn1)c1ccc(C2CCCCC2)cc1)NCCc1ccccc1
InChIInChI=1S/C25H28N4O2S/c30-24(26-16-15-19-7-3-1-4-8-19)17-29(25(31)23-18-32-28-27-23)22-13-11-21(12-14-22)20-9-5-2-6-10-20/h1,3-4,7-8,11-14,18,20H,2,5-6,9-10,15-17H2,(H,26,30)
InChIKeyYLKVFDXDKLHOQT-UHFFFAOYSA-N
XLogP4.59
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
CID 24792271
N-(3-acetylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
CID 24793351
N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide
CID 3222052
N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 24761911
N-cyclohexyl-N-[2-oxo-2-(2-phenylethylamino)-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide
CID 3222462
N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(thiophen-2-ylmethyl)thiadiazole-4-carboxamide
CID 3670704
N-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
CID 43814722
N-benzyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 7434931
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 1467648
N-(4-chlorophenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
CID 1445695
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219279
1-(4-cyclohexylphenyl)-3-(2-phenylethyl)urea;formic acid
CID 143736806

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-(4-cyclohexylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide (CID 3221963) is N-(4-cyclohexylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide is O=C(CN(C(=O)c1csnn1)c1ccc(C2CCCCC2)cc1)NCCc1ccccc1.
What is the InChIKey of N-(4-cyclohexylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide?
The InChIKey is YLKVFDXDKLHOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c30-24(26-16-15-19-7-3-1-4-8-19)17-29(25(31)23-18-32-28-27-23)22-13-11-21(12-14-22)20-9-5-2-6-10-20/h1,3-4,7-8,11-14,18,20H,2,5-6,9-10,15-17H2,(H,26,30).
What are the key properties of N-(4-cyclohexylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide?
N-(4-cyclohexylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 3221963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).