N-(3,4-dimethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide

C17H20N2O3S — CID 3414303

IUPACN-(3,4-dimethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide
SMILESCOc1ccc(NC(=O)CSCCc2ccccn2)cc1OC
InChIInChI=1S/C17H20N2O3S/c1-21-15-7-6-14(11-16(15)22-2)19-17(20)12-23-10-8-13-5-3-4-9-18-13/h3-7,9,11H,8,10,12H2,1-2H3,(H,19,20)
InChIKeyZZXPLSPFWGYCQS-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.01
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide

N-(3,4-dimethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide (PubChem CID 3414303) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide
PubChem CID3414303
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide
SMILESCOc1ccc(NC(=O)CSCCc2ccccn2)cc1OC
InChIInChI=1S/C17H20N2O3S/c1-21-15-7-6-14(11-16(15)22-2)19-17(20)12-23-10-8-13-5-3-4-9-18-13/h3-7,9,11H,8,10,12H2,1-2H3,(H,19,20)
InChIKeyZZXPLSPFWGYCQS-UHFFFAOYSA-N
XLogP3.01
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3,4-dimethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide 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-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 2447227
N1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-pyridylthio)acetamide
CID 2824712
3-(6-tert-butylpyridin-3-yl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acrylamide
CID 10215323
N-(3-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 659569
N-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 677656
N~2~-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~2~-(methylsulfonyl)-N~1~-(2-pyridinylmethyl)glycinamide
CID 2194631
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2454553
N-(3,4-dimethoxyphenyl)-N'-[1-(4-pyridinyl)ethyl]urea
CID 2957806
N-(2,5-diethoxyphenyl)-2-[(2-pyridin-2-ylethyl)thio]acetamide
CID 3275371
N-(2,5-diethoxyphenyl)-3-[(2-pyridin-2-ylethyl)thio]propanamide
CID 4600210
N-(3,4-dimethoxyphenyl)-2-((6-(pyridin-2-yl)pyridazin-3-yl)thio)acetamide
CID 12006154
3-(3,4-dimethoxyphenyl)-2-((pyridin-2-ylmethyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 16194710

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide (CID 3414303) is N-(3,4-dimethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide is COc1ccc(NC(=O)CSCCc2ccccn2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide?
The InChIKey is ZZXPLSPFWGYCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-21-15-7-6-14(11-16(15)22-2)19-17(20)12-23-10-8-13-5-3-4-9-18-13/h3-7,9,11H,8,10,12H2,1-2H3,(H,19,20).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide?
N-(3,4-dimethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide has a molecular weight of 332.43 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide is sourced from PubChem (CID 3414303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).