2-(4-amino-3-methylphenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide

C17H20N2OS — CID 79128316

IUPAC2-(4-amino-3-methylphenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cc(SCC(=O)Nc2c(C)cccc2C)ccc1N
InChIInChI=1S/C17H20N2OS/c1-11-5-4-6-12(2)17(11)19-16(20)10-21-14-7-8-15(18)13(3)9-14/h4-9H,10,18H2,1-3H3,(H,19,20)
InChIKeyRKNLXDKRFRIPFM-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.92
Rot. Bonds4

About 2-(4-amino-3-methylphenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide

2-(4-amino-3-methylphenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide (PubChem CID 79128316) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-(4-amino-3-methylphenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-methylphenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
PubChem CID79128316
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-(4-amino-3-methylphenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cc(SCC(=O)Nc2c(C)cccc2C)ccc1N
InChIInChI=1S/C17H20N2OS/c1-11-5-4-6-12(2)17(11)19-16(20)10-21-14-7-8-15(18)13(3)9-14/h4-9H,10,18H2,1-3H3,(H,19,20)
InChIKeyRKNLXDKRFRIPFM-UHFFFAOYSA-N
XLogP3.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79147675
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 79126482
2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 79126956
2-(4-amino-3-methylphenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 79127669
2-(4-amino-3-methylphenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79128491
N-(2,6-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712494
2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 9055689
2-(4-amino-3-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide
CID 79128325
N-(2,6-dimethylphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19316362
N-[3-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide
CID 18903057
2-(4-amino-3-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide
CID 79127531
2-(4-amino-3-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 79148077

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylphenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-(4-amino-3-methylphenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide (CID 79128316) is 2-(4-amino-3-methylphenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-amino-3-methylphenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4-amino-3-methylphenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide is Cc1cc(SCC(=O)Nc2c(C)cccc2C)ccc1N.
What is the InChIKey of 2-(4-amino-3-methylphenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is RKNLXDKRFRIPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-11-5-4-6-12(2)17(11)19-16(20)10-21-14-7-8-15(18)13(3)9-14/h4-9H,10,18H2,1-3H3,(H,19,20).
What are the key properties of 2-(4-amino-3-methylphenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide?
2-(4-amino-3-methylphenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 300.43 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylphenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 79128316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).