N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide

C18H20N4O3S — CID 24761911

IUPACN-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
SMILESCC(=O)c1ccc(N(CC(=O)NC2CCCC2)C(=O)c2csnn2)cc1
InChIInChI=1S/C18H20N4O3S/c1-12(23)13-6-8-15(9-7-13)22(18(25)16-11-26-21-20-16)10-17(24)19-14-4-2-3-5-14/h6-9,11,14H,2-5,10H2,1H3,(H,19,24)
InChIKeyZPNCKVKFICBMLJ-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.45
Rot. Bonds6

About N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide

N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide (PubChem CID 24761911) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
PubChem CID24761911
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
SMILESCC(=O)c1ccc(N(CC(=O)NC2CCCC2)C(=O)c2csnn2)cc1
InChIInChI=1S/C18H20N4O3S/c1-12(23)13-6-8-15(9-7-13)22(18(25)16-11-26-21-20-16)10-17(24)19-14-4-2-3-5-14/h6-9,11,14H,2-5,10H2,1H3,(H,19,24)
InChIKeyZPNCKVKFICBMLJ-UHFFFAOYSA-N
XLogP2.45
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219269
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219279
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 1467648
N-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 1467732
N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide
CID 1467660
N-[(4-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 1467680
N-(4-cyclohexylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
CID 3221963
2-(N-acetylanilino)-N-cyclopentylacetamide
CID 113167073
N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]thiadiazole-4-carboxamide
CID 3222275
2-(N-acetyl-4-ethylanilino)-N-cycloheptylacetamide
CID 113169281
N-(4-acetylphenyl)-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide
CID 113061686
N-cyclohexyl-2-(N,3-diacetylanilino)acetamide
CID 113175380

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide (CID 24761911) is N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide is CC(=O)c1ccc(N(CC(=O)NC2CCCC2)C(=O)c2csnn2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide?
The InChIKey is ZPNCKVKFICBMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-12(23)13-6-8-15(9-7-13)22(18(25)16-11-26-21-20-16)10-17(24)19-14-4-2-3-5-14/h6-9,11,14H,2-5,10H2,1H3,(H,19,24).
What are the key properties of N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide?
N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.45, 6 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-oxoethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 24761911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).