N-[(2,5-dimethoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide

C18H21NO3S — CID 10592618

IUPACN-[(2,5-dimethoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide
SMILESCOc1ccc(OC)c(CN(C=O)CCSc2ccccc2)c1
InChIInChI=1S/C18H21NO3S/c1-21-16-8-9-18(22-2)15(12-16)13-19(14-20)10-11-23-17-6-4-3-5-7-17/h3-9,12,14H,10-11,13H2,1-2H3
InChIKeyYCALEUJEWLVWPT-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.45
Rot. Bonds9

About N-[(2,5-dimethoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide

N-[(2,5-dimethoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide (PubChem CID 10592618) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide
PubChem CID10592618
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide
SMILESCOc1ccc(OC)c(CN(C=O)CCSc2ccccc2)c1
InChIInChI=1S/C18H21NO3S/c1-21-16-8-9-18(22-2)15(12-16)13-19(14-20)10-11-23-17-6-4-3-5-7-17/h3-9,12,14H,10-11,13H2,1-2H3
InChIKeyYCALEUJEWLVWPT-UHFFFAOYSA-N
XLogP3.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide
CID 10566222
N-benzyl-N-[(2,5-dimethoxyphenyl)methyl]butan-1-amine
CID 2244864
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39382765
(1R)-1-[4-methoxy-2-(2-phenylsulfanylethoxy)phenyl]ethanol
CID 82003434
1-(2,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)methanimine
CID 10756725
1-methoxy-2-(2-phenylsulfanylethyl)benzene
CID 101404831
1-(2,5-dimethoxyphenyl)-3-(2-phenylsulfanylethyl)urea
CID 47032218
2-(2-formyl-4-methoxyphenoxy)-N-(2-phenylsulfanylethyl)acetamide
CID 8869062
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol
CID 115613643
N-dimethoxyphosphoryl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine
CID 15785710
N-(2,3-dimethoxyphenyl)-N-(3-phenylsulfanylpropyl)formamide
CID 10735276
N-[(2-methoxyphenyl)methyl]-N-methyl-3-phenylsulfanylpropanamide
CID 46778454

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide (CID 10592618) is N-[(2,5-dimethoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide is COc1ccc(OC)c(CN(C=O)CCSc2ccccc2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide?
The InChIKey is YCALEUJEWLVWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-21-16-8-9-18(22-2)15(12-16)13-19(14-20)10-11-23-17-6-4-3-5-7-17/h3-9,12,14H,10-11,13H2,1-2H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide?
N-[(2,5-dimethoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide has a molecular weight of 331.44 g/mol, XLogP of 3.45, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide is sourced from PubChem (CID 10592618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).