2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide

C17H26N2OS — CID 79128124

IUPAC2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCc1cc(SCC(=O)N(C)C2CCC(C)CC2)ccc1N
InChIInChI=1S/C17H26N2OS/c1-12-4-6-14(7-5-12)19(3)17(20)11-21-15-8-9-16(18)13(2)10-15/h8-10,12,14H,4-7,11,18H2,1-3H3
InChIKeyIBWSFNCROYDVGU-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.71
Rot. Bonds4

About 2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide

2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide (PubChem CID 79128124) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is 2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide
PubChem CID79128124
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCc1cc(SCC(=O)N(C)C2CCC(C)CC2)ccc1N
InChIInChI=1S/C17H26N2OS/c1-12-4-6-14(7-5-12)19(3)17(20)11-21-15-8-9-16(18)13(2)10-15/h8-10,12,14H,4-7,11,18H2,1-3H3
InChIKeyIBWSFNCROYDVGU-UHFFFAOYSA-N
XLogP3.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 79130662
2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide
CID 79140728
2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide
CID 79148103
4-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfanylbenzoic acid
CID 54957181
5-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63942579
N-cyclopropyl-2-(3-formylphenyl)sulfanyl-N-methylacetamide
CID 66354915
2-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide
CID 79148069
2-(4-amino-3-methylphenyl)sulfanyl-N-cyclohexylacetamide
CID 79148174
N-cyclopropyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-N-methylacetamide
CID 64665708
N-methyl-N-(4-methylcyclohexyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 39952566
N-cyclohexyl-2-(3-hydroxyphenyl)sulfanyl-N-methylacetamide
CID 104590798
2-(4-amino-3-methylphenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 79129036

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide (CID 79128124) is 2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide is Cc1cc(SCC(=O)N(C)C2CCC(C)CC2)ccc1N.
What is the InChIKey of 2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide?
The InChIKey is IBWSFNCROYDVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-12-4-6-14(7-5-12)19(3)17(20)11-21-15-8-9-16(18)13(2)10-15/h8-10,12,14H,4-7,11,18H2,1-3H3.
What are the key properties of 2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide?
2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide has a molecular weight of 306.48 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 79128124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).