N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide

C22H24N4O2S2 — CID 3219198

IUPACN-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccccc1N(C(=O)c1csnn1)C(C(=O)NC1CCCCC1)c1cccs1
InChIInChI=1S/C22H24N4O2S2/c1-15-8-5-6-11-18(15)26(22(28)17-14-30-25-24-17)20(19-12-7-13-29-19)21(27)23-16-9-3-2-4-10-16/h5-8,11-14,16,20H,2-4,9-10H2,1H3,(H,23,27)
InChIKeyALRHYNNHVNVKRY-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.75
Rot. Bonds6

About N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide

N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide (PubChem CID 3219198) has the molecular formula C22H24N4O2S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
PubChem CID3219198
Molecular FormulaC22H24N4O2S2
Molecular Weight440.59 g/mol
Exact Mass440.13
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccccc1N(C(=O)c1csnn1)C(C(=O)NC1CCCCC1)c1cccs1
InChIInChI=1S/C22H24N4O2S2/c1-15-8-5-6-11-18(15)26(22(28)17-14-30-25-24-17)20(19-12-7-13-29-19)21(27)23-16-9-3-2-4-10-16/h5-8,11-14,16,20H,2-4,9-10H2,1H3,(H,23,27)
InChIKeyALRHYNNHVNVKRY-UHFFFAOYSA-N
XLogP4.75
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 25410205
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 7404331
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 7404338
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-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)thiadiazole-4-carboxamide
CID 1467642
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide
CID 1467629
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 25410432
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide
CID 3219349
N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,3-dimethylphenyl)thiadiazole-4-carboxamide
CID 43815579
N-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,3-dimethylphenyl)thiadiazole-4-carboxamide
CID 1452161
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide
CID 7404530

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide (CID 3219198) is N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide is Cc1ccccc1N(C(=O)c1csnn1)C(C(=O)NC1CCCCC1)c1cccs1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide?
The InChIKey is ALRHYNNHVNVKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S2/c1-15-8-5-6-11-18(15)26(22(28)17-14-30-25-24-17)20(19-12-7-13-29-19)21(27)23-16-9-3-2-4-10-16/h5-8,11-14,16,20H,2-4,9-10H2,1H3,(H,23,27).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide?
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3219198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).