N-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide

C19H23NO3S — CID 30397462

IUPACN-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)NCCCc2cccc(OC)c2)cc1
InChIInChI=1S/C19H23NO3S/c1-22-16-8-10-18(11-9-16)24-14-19(21)20-12-4-6-15-5-3-7-17(13-15)23-2/h3,5,7-11,13H,4,6,12,14H2,1-2H3,(H,20,21)
InChIKeyHMHLADNWCZFCLK-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.54
Rot. Bonds9

About N-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide

N-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide (PubChem CID 30397462) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
PubChem CID30397462
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)NCCCc2cccc(OC)c2)cc1
InChIInChI=1S/C19H23NO3S/c1-22-16-8-10-18(11-9-16)24-14-19(21)20-12-4-6-15-5-3-7-17(13-15)23-2/h3,5,7-11,13H,4,6,12,14H2,1-2H3,(H,20,21)
InChIKeyHMHLADNWCZFCLK-UHFFFAOYSA-N
XLogP3.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 46769228
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 95172596
2-(4-methoxyphenyl)sulfanyl-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 92683988
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
N-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 107318867
2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 18074647
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 132653897
2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119503641
5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]pentanoic acid
CID 62032850
N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624
N-(3-phenylpropyl)-2-phenylsulfanylacetamide
CID 2098867
5-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]pentanoic acid
CID 119234511

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide (CID 30397462) is N-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide is COc1ccc(SCC(=O)NCCCc2cccc(OC)c2)cc1.
What is the InChIKey of N-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide?
The InChIKey is HMHLADNWCZFCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-22-16-8-10-18(11-9-16)24-14-19(21)20-12-4-6-15-5-3-7-17(13-15)23-2/h3,5,7-11,13H,4,6,12,14H2,1-2H3,(H,20,21).
What are the key properties of N-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide?
N-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide has a molecular weight of 345.46 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 30397462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).