2-(4-tert-butylphenyl)sulfanyl-N-cyclohexyl-N-methylacetamide

C19H29NOS — CID 4001346

IUPAC2-(4-tert-butylphenyl)sulfanyl-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CSc1ccc(C(C)(C)C)cc1)C1CCCCC1
InChIInChI=1S/C19H29NOS/c1-19(2,3)15-10-12-17(13-11-15)22-14-18(21)20(4)16-8-6-5-7-9-16/h10-13,16H,5-9,14H2,1-4H3
InChIKeyMENGQGYNEIYIEB-UHFFFAOYSA-N
MW319.51 g/mol
LogP4.87
Rot. Bonds4

About 2-(4-tert-butylphenyl)sulfanyl-N-cyclohexyl-N-methylacetamide

2-(4-tert-butylphenyl)sulfanyl-N-cyclohexyl-N-methylacetamide (PubChem CID 4001346) has the molecular formula C19H29NOS and a molecular weight of 319.51 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)sulfanyl-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)sulfanyl-N-cyclohexyl-N-methylacetamide
PubChem CID4001346
Molecular FormulaC19H29NOS
Molecular Weight319.51 g/mol
Exact Mass319.20
IUPAC Name2-(4-tert-butylphenyl)sulfanyl-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CSc1ccc(C(C)(C)C)cc1)C1CCCCC1
InChIInChI=1S/C19H29NOS/c1-19(2,3)15-10-12-17(13-11-15)22-14-18(21)20(4)16-8-6-5-7-9-16/h10-13,16H,5-9,14H2,1-4H3
InChIKeyMENGQGYNEIYIEB-UHFFFAOYSA-N
XLogP4.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.51
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-tert-butylphenyl)sulfanyl-N-cyclohexyl-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfanylbenzoic acid
CID 54957181
N-cyclohexyl-2-(3-hydroxyphenyl)sulfanyl-N-methylacetamide
CID 104590798
2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide
CID 79140728
N-cyclohexyl-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide
CID 51891785
2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide
CID 78765069
N-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442580
N-cyclohexyl-2-(4-hydroxyphenyl)sulfanyl-N-propan-2-ylacetamide
CID 61031721
N-cyclopropyl-2-(3-formylphenyl)sulfanyl-N-methylacetamide
CID 66354915
2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119554487
2-(4-tert-butylphenyl)sulfanyl-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 60518633
2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 79128124
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 7562760

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)sulfanyl-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-(4-tert-butylphenyl)sulfanyl-N-cyclohexyl-N-methylacetamide (CID 4001346) is 2-(4-tert-butylphenyl)sulfanyl-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)sulfanyl-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)sulfanyl-N-cyclohexyl-N-methylacetamide is CN(C(=O)CSc1ccc(C(C)(C)C)cc1)C1CCCCC1.
What is the InChIKey of 2-(4-tert-butylphenyl)sulfanyl-N-cyclohexyl-N-methylacetamide?
The InChIKey is MENGQGYNEIYIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NOS/c1-19(2,3)15-10-12-17(13-11-15)22-14-18(21)20(4)16-8-6-5-7-9-16/h10-13,16H,5-9,14H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)sulfanyl-N-cyclohexyl-N-methylacetamide?
2-(4-tert-butylphenyl)sulfanyl-N-cyclohexyl-N-methylacetamide has a molecular weight of 319.51 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)sulfanyl-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 4001346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).