N-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]thiadiazole-4-carboxamide

C20H26N4O2S — CID 3222295

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]thiadiazole-4-carboxamide
SMILESCc1ccccc1CCN(CC(=O)NC1CCCCC1)C(=O)c1csnn1
InChIInChI=1S/C20H26N4O2S/c1-15-7-5-6-8-16(15)11-12-24(20(26)18-14-27-23-22-18)13-19(25)21-17-9-3-2-4-10-17/h5-8,14,17H,2-4,9-13H2,1H3,(H,21,25)
InChIKeyCLEBSLSFMBTQCP-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.98
Rot. Bonds7

About N-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]thiadiazole-4-carboxamide

N-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]thiadiazole-4-carboxamide (PubChem CID 3222295) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]thiadiazole-4-carboxamide
PubChem CID3222295
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]thiadiazole-4-carboxamide
SMILESCc1ccccc1CCN(CC(=O)NC1CCCCC1)C(=O)c1csnn1
InChIInChI=1S/C20H26N4O2S/c1-15-7-5-6-8-16(15)11-12-24(20(26)18-14-27-23-22-18)13-19(25)21-17-9-3-2-4-10-17/h5-8,14,17H,2-4,9-13H2,1H3,(H,21,25)
InChIKeyCLEBSLSFMBTQCP-UHFFFAOYSA-N
XLogP2.98
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]thiadiazole-4-carboxamide (CID 3222295) is N-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]thiadiazole-4-carboxamide is Cc1ccccc1CCN(CC(=O)NC1CCCCC1)C(=O)c1csnn1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]thiadiazole-4-carboxamide?
The InChIKey is CLEBSLSFMBTQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-15-7-5-6-8-16(15)11-12-24(20(26)18-14-27-23-22-18)13-19(25)21-17-9-3-2-4-10-17/h5-8,14,17H,2-4,9-13H2,1H3,(H,21,25).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]thiadiazole-4-carboxamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]thiadiazole-4-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 2.98, 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-oxoethyl]-N-[2-(2-methylphenyl)ethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 3222295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).