N-[(2-methoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide

C17H19NO2S — CID 10566222

IUPACN-[(2-methoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide
SMILESCOc1ccccc1CN(C=O)CCSc1ccccc1
InChIInChI=1S/C17H19NO2S/c1-20-17-10-6-5-7-15(17)13-18(14-19)11-12-21-16-8-3-2-4-9-16/h2-10,14H,11-13H2,1H3
InChIKeyIPKGCPIPCJMTKC-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.45
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide

N-[(2-methoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide (PubChem CID 10566222) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide
PubChem CID10566222
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide
SMILESCOc1ccccc1CN(C=O)CCSc1ccccc1
InChIInChI=1S/C17H19NO2S/c1-20-17-10-6-5-7-15(17)13-18(14-19)11-12-21-16-8-3-2-4-9-16/h2-10,14H,11-13H2,1H3
InChIKeyIPKGCPIPCJMTKC-UHFFFAOYSA-N
XLogP3.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide
CID 10592618
1-methoxy-2-(2-phenylsulfanylethyl)benzene
CID 101404831
N-[(2-methoxyphenyl)methyl]-N-methyl-3-phenylsulfanylpropanamide
CID 46778454
N-(2,3-dimethoxyphenyl)-N-(3-phenylsulfanylpropyl)formamide
CID 10735276
2-(2-methoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide
CID 38567183
N-dimethoxyphosphoryl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine
CID 15785710
2-methoxy-N,6-dimethyl-N-(2-phenylsulfanylethyl)benzamide
CID 131916444
2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 61417709
1-(2-methoxyphenyl)-3-phenylsulfanylpropan-2-ol
CID 65142108
N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62554444
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenyl)sulfanylacetamide
CID 43909023
2-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 51099203

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide (CID 10566222) is N-[(2-methoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide is COc1ccccc1CN(C=O)CCSc1ccccc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide?
The InChIKey is IPKGCPIPCJMTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-20-17-10-6-5-7-15(17)13-18(14-19)11-12-21-16-8-3-2-4-9-16/h2-10,14H,11-13H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide?
N-[(2-methoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide has a molecular weight of 301.41 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide is sourced from PubChem (CID 10566222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).