N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide

C24H24N4O3S — CID 24761942

IUPACN-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
SMILESCC(=O)c1ccc(N(C(=O)c2csnn2)C(C(=O)NC2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H24N4O3S/c1-16(29)17-11-13-20(14-12-17)28(24(31)21-15-32-27-26-21)22(18-7-3-2-4-8-18)23(30)25-19-9-5-6-10-19/h2-4,7-8,11-15,19,22H,5-6,9-10H2,1H3,(H,25,30)
InChIKeyGQPMRYPCNCWNIG-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.19
Rot. Bonds7

About N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide

N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide (PubChem CID 24761942) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
PubChem CID24761942
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC NameN-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
SMILESCC(=O)c1ccc(N(C(=O)c2csnn2)C(C(=O)NC2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H24N4O3S/c1-16(29)17-11-13-20(14-12-17)28(24(31)21-15-32-27-26-21)22(18-7-3-2-4-8-18)23(30)25-19-9-5-6-10-19/h2-4,7-8,11-15,19,22H,5-6,9-10H2,1H3,(H,25,30)
InChIKeyGQPMRYPCNCWNIG-UHFFFAOYSA-N
XLogP4.19
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide (CID 24761942) is N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide is CC(=O)c1ccc(N(C(=O)c2csnn2)C(C(=O)NC2CCCC2)c2ccccc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide?
The InChIKey is GQPMRYPCNCWNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-16(29)17-11-13-20(14-12-17)28(24(31)21-15-32-27-26-21)22(18-7-3-2-4-8-18)23(30)25-19-9-5-6-10-19/h2-4,7-8,11-15,19,22H,5-6,9-10H2,1H3,(H,25,30).
What are the key properties of N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide?
N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 24761942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).