N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylthiadiazole-4-carboxamide

C20H24N4O2S — CID 3219472

IUPACN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylthiadiazole-4-carboxamide
SMILESC=CCN(C(=O)c1csnn1)C(C(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C20H24N4O2S/c1-2-13-24(20(26)17-14-27-23-22-17)18(15-9-5-3-6-10-15)19(25)21-16-11-7-4-8-12-16/h2-3,5-6,9-10,14,16,18H,1,4,7-8,11-13H2,(H,21,25)
InChIKeyVMOGDMMVXJPMFD-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.36
Rot. Bonds7

About N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylthiadiazole-4-carboxamide

N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylthiadiazole-4-carboxamide (PubChem CID 3219472) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylthiadiazole-4-carboxamide
PubChem CID3219472
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylthiadiazole-4-carboxamide
SMILESC=CCN(C(=O)c1csnn1)C(C(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C20H24N4O2S/c1-2-13-24(20(26)17-14-27-23-22-17)18(15-9-5-3-6-10-15)19(25)21-16-11-7-4-8-12-16/h2-3,5-6,9-10,14,16,18H,1,4,7-8,11-13H2,(H,21,25)
InChIKeyVMOGDMMVXJPMFD-UHFFFAOYSA-N
XLogP3.36
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylthiadiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylthiadiazole-4-carboxamide (CID 3219472) is N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylthiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylthiadiazole-4-carboxamide is C=CCN(C(=O)c1csnn1)C(C(=O)NC1CCCCC1)c1ccccc1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylthiadiazole-4-carboxamide?
The InChIKey is VMOGDMMVXJPMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-2-13-24(20(26)17-14-27-23-22-17)18(15-9-5-3-6-10-15)19(25)21-16-11-7-4-8-12-16/h2-3,5-6,9-10,14,16,18H,1,4,7-8,11-13H2,(H,21,25).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylthiadiazole-4-carboxamide?
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylthiadiazole-4-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylthiadiazole-4-carboxamide is sourced from PubChem (CID 3219472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).