N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)thiadiazole-4-carboxamide

C21H22N4O3S2 — CID 1467642

IUPACN-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)thiadiazole-4-carboxamide
SMILESCOc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1
InChIInChI=1S/C21H22N4O3S2/c1-28-16-10-8-15(9-11-16)25(21(27)17-13-30-24-23-17)19(18-7-4-12-29-18)20(26)22-14-5-2-3-6-14/h4,7-14,19H,2-3,5-6H2,1H3,(H,22,26)/t19-/m0/s1
InChIKeyXZBGRAFGXWZTEH-IBGZPJMESA-N
MW442.57 g/mol
LogP4.06
Rot. Bonds7

About N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)thiadiazole-4-carboxamide

N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)thiadiazole-4-carboxamide (PubChem CID 1467642) has the molecular formula C21H22N4O3S2 and a molecular weight of 442.57 g/mol. Its IUPAC name is N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)thiadiazole-4-carboxamide
PubChem CID1467642
Molecular FormulaC21H22N4O3S2
Molecular Weight442.57 g/mol
Exact Mass442.11
IUPAC NameN-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)thiadiazole-4-carboxamide
SMILESCOc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1
InChIInChI=1S/C21H22N4O3S2/c1-28-16-10-8-15(9-11-16)25(21(27)17-13-30-24-23-17)19(18-7-4-12-29-18)20(26)22-14-5-2-3-6-14/h4,7-14,19H,2-3,5-6H2,1H3,(H,22,26)/t19-/m0/s1
InChIKeyXZBGRAFGXWZTEH-IBGZPJMESA-N
XLogP4.06
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 7404331
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 7404330
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 25410008
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide
CID 1467629
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 3219198
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 1441882
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide
CID 3216374
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide
CID 7404530
N-[(1R)-2-(cyclopentylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 1452011
N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 3221783
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide
CID 3219349
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide
CID 1439570

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)thiadiazole-4-carboxamide (CID 1467642) is N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)thiadiazole-4-carboxamide is COc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1.
What is the InChIKey of N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)thiadiazole-4-carboxamide?
The InChIKey is XZBGRAFGXWZTEH-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22N4O3S2/c1-28-16-10-8-15(9-11-16)25(21(27)17-13-30-24-23-17)19(18-7-4-12-29-18)20(26)22-14-5-2-3-6-14/h4,7-14,19H,2-3,5-6H2,1H3,(H,22,26)/t19-/m0/s1.
What are the key properties of N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)thiadiazole-4-carboxamide?
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)thiadiazole-4-carboxamide has a molecular weight of 442.57 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 1467642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).