N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide

C19H24N4O2S — CID 3222579

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide
SMILESCCc1cccc(N(CC(=O)NC2CCCCC2)C(=O)c2csnn2)c1
InChIInChI=1S/C19H24N4O2S/c1-2-14-7-6-10-16(11-14)23(19(25)17-13-26-22-21-17)12-18(24)20-15-8-4-3-5-9-15/h6-7,10-11,13,15H,2-5,8-9,12H2,1H3,(H,20,24)
InChIKeyLIGACOUJHHAFPI-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.20
Rot. Bonds6

About N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide

N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide (PubChem CID 3222579) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide
PubChem CID3222579
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide
SMILESCCc1cccc(N(CC(=O)NC2CCCCC2)C(=O)c2csnn2)c1
InChIInChI=1S/C19H24N4O2S/c1-2-14-7-6-10-16(11-14)23(19(25)17-13-26-22-21-17)12-18(24)20-15-8-4-3-5-9-15/h6-7,10-11,13,15H,2-5,8-9,12H2,1H3,(H,20,24)
InChIKeyLIGACOUJHHAFPI-UHFFFAOYSA-N
XLogP3.20
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.20
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-(3-ethylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide (CID 3222579) is N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide is CCc1cccc(N(CC(=O)NC2CCCCC2)C(=O)c2csnn2)c1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide?
The InChIKey is LIGACOUJHHAFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-2-14-7-6-10-16(11-14)23(19(25)17-13-26-22-21-17)12-18(24)20-15-8-4-3-5-9-15/h6-7,10-11,13,15H,2-5,8-9,12H2,1H3,(H,20,24).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.20, 6 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-(3-ethylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3222579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).