N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2-(3-methoxyphenyl)sulfanylacetamide

C19H24N2O2S — CID 71908026

IUPACN-[3-[(dimethylamino)methyl]-5-methylphenyl]-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)Nc2cc(C)cc(CN(C)C)c2)c1
InChIInChI=1S/C19H24N2O2S/c1-14-8-15(12-21(2)3)10-16(9-14)20-19(22)13-24-18-7-5-6-17(11-18)23-4/h5-11H,12-13H2,1-4H3,(H,20,22)
InChIKeyCJKSZYBRSCCRHP-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.80
Rot. Bonds7

About N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2-(3-methoxyphenyl)sulfanylacetamide

N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2-(3-methoxyphenyl)sulfanylacetamide (PubChem CID 71908026) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2-(3-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]-5-methylphenyl]-2-(3-methoxyphenyl)sulfanylacetamide
PubChem CID71908026
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[3-[(dimethylamino)methyl]-5-methylphenyl]-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)Nc2cc(C)cc(CN(C)C)c2)c1
InChIInChI=1S/C19H24N2O2S/c1-14-8-15(12-21(2)3)10-16(9-14)20-19(22)13-24-18-7-5-6-17(11-18)23-4/h5-11H,12-13H2,1-4H3,(H,20,22)
InChIKeyCJKSZYBRSCCRHP-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2-(3-methoxyphenyl)sulfanylacetamide 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

N-(2,6-dibromo-4-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040789
N-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35042477
3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 35042935
N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040719
N-(3-methoxyphenyl)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 35041592
N-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7799539
N-(3-methoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetamide
CID 19316652
2-(3,4-dimethoxyphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 28635923
N-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 29031142
2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide
CID 35040704
(2R)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-3-methylbutanoic acid
CID 92924453
N-[(6-methoxynaphthalen-2-yl)methyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide
CID 35041609

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2-(3-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2-(3-methoxyphenyl)sulfanylacetamide (CID 71908026) is N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2-(3-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2-(3-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2-(3-methoxyphenyl)sulfanylacetamide is COc1cccc(SCC(=O)Nc2cc(C)cc(CN(C)C)c2)c1.
What is the InChIKey of N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2-(3-methoxyphenyl)sulfanylacetamide?
The InChIKey is CJKSZYBRSCCRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14-8-15(12-21(2)3)10-16(9-14)20-19(22)13-24-18-7-5-6-17(11-18)23-4/h5-11H,12-13H2,1-4H3,(H,20,22).
What are the key properties of N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2-(3-methoxyphenyl)sulfanylacetamide?
N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2-(3-methoxyphenyl)sulfanylacetamide has a molecular weight of 344.48 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2-(3-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 71908026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).