N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide

C23H23FN4O2S — CID 3200686

IUPACN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1)N(C(=O)c1cnsn1)c1ccc(F)cc1
InChIInChI=1S/C23H23FN4O2S/c24-17-11-13-19(14-12-17)28(23(30)20-15-25-31-27-20)21(16-7-3-1-4-8-16)22(29)26-18-9-5-2-6-10-18/h1,3-4,7-8,11-15,18,21H,2,5-6,9-10H2,(H,26,29)
InChIKeyDFURVQSRXXIABN-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.51
Rot. Bonds6

About N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide

N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 3200686) has the molecular formula C23H23FN4O2S and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID3200686
Molecular FormulaC23H23FN4O2S
Molecular Weight438.53 g/mol
Exact Mass438.15
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1)N(C(=O)c1cnsn1)c1ccc(F)cc1
InChIInChI=1S/C23H23FN4O2S/c24-17-11-13-19(14-12-17)28(23(30)20-15-25-31-27-20)21(16-7-3-1-4-8-16)22(29)26-18-9-5-2-6-10-18/h1,3-4,7-8,11-15,18,21H,2,5-6,9-10H2,(H,26,29)
InChIKeyDFURVQSRXXIABN-UHFFFAOYSA-N
XLogP4.51
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 1439658
2-(N-(2-chloroacetyl)-4-fluoroanilino)-N-cyclohexyl-2-phenylacetamide
CID 53364514
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide
CID 5124309
N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide
CID 3206084
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(3,4-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide
CID 3200689
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(2,3-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide
CID 3200688
N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)thiophene-2-carboxamide
CID 3228313
4-amino-5-N-[(1S)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide
CID 25308097
N-(4-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 3222027
N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide
CID 3184794
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 51552791
N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 3178297

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide (CID 3200686) is N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide is O=C(NC1CCCCC1)C(c1ccccc1)N(C(=O)c1cnsn1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is DFURVQSRXXIABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2S/c24-17-11-13-19(14-12-17)28(23(30)20-15-25-31-27-20)21(16-7-3-1-4-8-16)22(29)26-18-9-5-2-6-10-18/h1,3-4,7-8,11-15,18,21H,2,5-6,9-10H2,(H,26,29).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide?
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 3200686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).