2-[cyclohexyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide

C16H24N2OS — CID 84749272

IUPAC2-[cyclohexyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide
SMILESCOc1ccccc1C(C(N)=S)N(C)C1CCCCC1
InChIInChI=1S/C16H24N2OS/c1-18(12-8-4-3-5-9-12)15(16(17)20)13-10-6-7-11-14(13)19-2/h6-7,10-12,15H,3-5,8-9H2,1-2H3,(H2,17,20)
InChIKeyLVUAWUZKPPTPSS-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.29
Rot. Bonds5

About 2-[cyclohexyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide

2-[cyclohexyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide (PubChem CID 84749272) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide
PubChem CID84749272
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-[cyclohexyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide
SMILESCOc1ccccc1C(C(N)=S)N(C)C1CCCCC1
InChIInChI=1S/C16H24N2OS/c1-18(12-8-4-3-5-9-12)15(16(17)20)13-10-6-7-11-14(13)19-2/h6-7,10-12,15H,3-5,8-9H2,1-2H3,(H2,17,20)
InChIKeyLVUAWUZKPPTPSS-UHFFFAOYSA-N
XLogP3.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-2-(2-methoxyphenyl)ethanethioamide
CID 82087243
2-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide
CID 84749678
2-[cyclohexyl(methyl)amino]-2-thiophen-3-ylethanethioamide
CID 84749285
1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
CID 70442414
N-cyclobutyl-2-methoxy-N-methylaniline
CID 142063552
methyl 2-[cyclopropyl(methyl)amino]-2-(5-fluoro-2-methoxyphenyl)acetate
CID 116857401
N-cyclohexyl-2-(2-methoxyphenoxy)-N-methylacetamide
CID 19169782
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
1-cyclohexyl-2-(2-methoxyphenyl)-1-methylhydrazine
CID 174840756
3-[cyclopentyl(methyl)amino]-3-phenylpropanethioamide
CID 62779621
2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 63701934
N,N-dicyclohexyl-2-(2-methoxyphenoxy)acetamide
CID 717645

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide (CID 84749272) is 2-[cyclohexyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide is COc1ccccc1C(C(N)=S)N(C)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide?
The InChIKey is LVUAWUZKPPTPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-18(12-8-4-3-5-9-12)15(16(17)20)13-10-6-7-11-14(13)19-2/h6-7,10-12,15H,3-5,8-9H2,1-2H3,(H2,17,20).
What are the key properties of 2-[cyclohexyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide?
2-[cyclohexyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide has a molecular weight of 292.45 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-2-(2-methoxyphenyl)ethanethioamide is sourced from PubChem (CID 84749272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).