N-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide

C20H23ClN4O2S — CID 1467760

IUPACN-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
SMILESC=CCN(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN4O2S/c1-2-12-25(20(27)17-13-28-24-23-17)18(14-8-10-15(21)11-9-14)19(26)22-16-6-4-3-5-7-16/h2,8-11,13,16,18H,1,3-7,12H2,(H,22,26)/t18-/m1/s1
InChIKeyIHSYHSYXSLQGSS-GOSISDBHSA-N
MW418.95 g/mol
LogP4.01
Rot. Bonds7

About N-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide

N-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide (PubChem CID 1467760) has the molecular formula C20H23ClN4O2S and a molecular weight of 418.95 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
PubChem CID1467760
Molecular FormulaC20H23ClN4O2S
Molecular Weight418.95 g/mol
Exact Mass418.12
IUPAC NameN-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
SMILESC=CCN(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN4O2S/c1-2-12-25(20(27)17-13-28-24-23-17)18(14-8-10-15(21)11-9-14)19(26)22-16-6-4-3-5-7-16/h2,8-11,13,16,18H,1,3-7,12H2,(H,22,26)/t18-/m1/s1
InChIKeyIHSYHSYXSLQGSS-GOSISDBHSA-N
XLogP4.01
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.95
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
CID 1467762
N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide
CID 3219338
N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
CID 3697623
N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
CID 7435195
N-(4-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 3222027
N-benzyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 7434931
N-[2-(cyclohexylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 3219469
N-[(1S)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 1467718
N-[(2R)-butan-2-yl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 7435130
N-[(4-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 1467680
N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylthiadiazole-4-carboxamide
CID 3222505
N-[(1S)-2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 25410089

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide (CID 1467760) is N-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide is C=CCN(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide?
The InChIKey is IHSYHSYXSLQGSS-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23ClN4O2S/c1-2-12-25(20(27)17-13-28-24-23-17)18(14-8-10-15(21)11-9-14)19(26)22-16-6-4-3-5-7-16/h2,8-11,13,16,18H,1,3-7,12H2,(H,22,26)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide?
N-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide has a molecular weight of 418.95 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide is sourced from PubChem (CID 1467760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).