2-cyclohexylidene-N-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]acetamide

C16H23NOS — CID 94639120

IUPAC2-cyclohexylidene-N-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]acetamide
SMILESCc1ccc([C@H](C)N(C)C(=O)C=C2CCCCC2)s1
InChIInChI=1S/C16H23NOS/c1-12-9-10-15(19-12)13(2)17(3)16(18)11-14-7-5-4-6-8-14/h9-11,13H,4-8H2,1-3H3/t13-/m0/s1
InChIKeyLNEJVJWPUFQDTE-ZDUSSCGKSA-N
MW277.43 g/mol
LogP4.47
Rot. Bonds3

About 2-cyclohexylidene-N-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]acetamide

2-cyclohexylidene-N-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]acetamide (PubChem CID 94639120) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 2-cyclohexylidene-N-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyclohexylidene-N-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]acetamide
PubChem CID94639120
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name2-cyclohexylidene-N-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]acetamide
SMILESCc1ccc([C@H](C)N(C)C(=O)C=C2CCCCC2)s1
InChIInChI=1S/C16H23NOS/c1-12-9-10-15(19-12)13(2)17(3)16(18)11-14-7-5-4-6-8-14/h9-11,13H,4-8H2,1-3H3/t13-/m0/s1
InChIKeyLNEJVJWPUFQDTE-ZDUSSCGKSA-N
XLogP4.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidene-N-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]acetamide?
The IUPAC name of 2-cyclohexylidene-N-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]acetamide (CID 94639120) is 2-cyclohexylidene-N-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-cyclohexylidene-N-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]acetamide?
The canonical SMILES for 2-cyclohexylidene-N-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]acetamide is Cc1ccc([C@H](C)N(C)C(=O)C=C2CCCCC2)s1.
What is the InChIKey of 2-cyclohexylidene-N-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]acetamide?
The InChIKey is LNEJVJWPUFQDTE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23NOS/c1-12-9-10-15(19-12)13(2)17(3)16(18)11-14-7-5-4-6-8-14/h9-11,13H,4-8H2,1-3H3/t13-/m0/s1.
What are the key properties of 2-cyclohexylidene-N-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]acetamide?
2-cyclohexylidene-N-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]acetamide has a molecular weight of 277.43 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidene-N-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]acetamide is sourced from PubChem (CID 94639120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).