2-[(R)-[4-(methoxymethyl)phenyl]sulfinyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide

C16H19NO3S2 — CID 97073247

IUPAC2-[(R)-[4-(methoxymethyl)phenyl]sulfinyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCOCc1ccc([S@](=O)CC(=O)NCc2sccc2C)cc1
InChIInChI=1S/C16H19NO3S2/c1-12-7-8-21-15(12)9-17-16(18)11-22(19)14-5-3-13(4-6-14)10-20-2/h3-8H,9-11H2,1-2H3,(H,17,18)/t22-/m1/s1
InChIKeyAOVIQIBTZPHTPS-JOCHJYFZSA-N
MW337.47 g/mol
LogP2.63
Rot. Bonds7

About 2-[(R)-[4-(methoxymethyl)phenyl]sulfinyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide

2-[(R)-[4-(methoxymethyl)phenyl]sulfinyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 97073247) has the molecular formula C16H19NO3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-[(R)-[4-(methoxymethyl)phenyl]sulfinyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(R)-[4-(methoxymethyl)phenyl]sulfinyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID97073247
Molecular FormulaC16H19NO3S2
Molecular Weight337.47 g/mol
Exact Mass337.08
IUPAC Name2-[(R)-[4-(methoxymethyl)phenyl]sulfinyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCOCc1ccc([S@](=O)CC(=O)NCc2sccc2C)cc1
InChIInChI=1S/C16H19NO3S2/c1-12-7-8-21-15(12)9-17-16(18)11-22(19)14-5-3-13(4-6-14)10-20-2/h3-8H,9-11H2,1-2H3,(H,17,18)/t22-/m1/s1
InChIKeyAOVIQIBTZPHTPS-JOCHJYFZSA-N
XLogP2.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(R)-[4-(methoxymethyl)phenyl]sulfinyl]-N-[(3-methylthiophen-2-yl)methyl]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

2-(3-methylbutylsulfinyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 75381775
2-[(R)-(2-fluorophenyl)sulfinyl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 97063129
2-(4-ethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 32959130
4-(4-ethylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide
CID 32958226
2-(2-fluorophenyl)sulfinyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 71917075
2-(4-methoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 32959031
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115588265
4-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide
CID 32958843
N-[(4-methoxyphenyl)methyl]-2-[[N'-methyl-N-[(3-methylthiophen-2-yl)methyl]carbamimidoyl]amino]acetamide
CID 111893367
3-cyano-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115173840
1,1-dimethyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 115579180
2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 112725782

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-[4-(methoxymethyl)phenyl]sulfinyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[(R)-[4-(methoxymethyl)phenyl]sulfinyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 97073247) is 2-[(R)-[4-(methoxymethyl)phenyl]sulfinyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(R)-[4-(methoxymethyl)phenyl]sulfinyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(R)-[4-(methoxymethyl)phenyl]sulfinyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide is COCc1ccc([S@](=O)CC(=O)NCc2sccc2C)cc1.
What is the InChIKey of 2-[(R)-[4-(methoxymethyl)phenyl]sulfinyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is AOVIQIBTZPHTPS-JOCHJYFZSA-N. The full InChI is InChI=1S/C16H19NO3S2/c1-12-7-8-21-15(12)9-17-16(18)11-22(19)14-5-3-13(4-6-14)10-20-2/h3-8H,9-11H2,1-2H3,(H,17,18)/t22-/m1/s1.
What are the key properties of 2-[(R)-[4-(methoxymethyl)phenyl]sulfinyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-[(R)-[4-(methoxymethyl)phenyl]sulfinyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 337.47 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-[4-(methoxymethyl)phenyl]sulfinyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 97073247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).