N-[(3-methoxyphenyl)methyl]-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide

C21H21NO3S — CID 78829783

IUPACN-[(3-methoxyphenyl)methyl]-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2occc2CSc2ccccc2)c1
InChIInChI=1S/C21H21NO3S/c1-22(14-16-7-6-8-18(13-16)24-2)21(23)20-17(11-12-25-20)15-26-19-9-4-3-5-10-19/h3-13H,14-15H2,1-2H3
InChIKeyWDJFGQDTEFKELJ-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.85
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide

N-[(3-methoxyphenyl)methyl]-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide (PubChem CID 78829783) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide
PubChem CID78829783
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2occc2CSc2ccccc2)c1
InChIInChI=1S/C21H21NO3S/c1-22(14-16-7-6-8-18(13-16)24-2)21(23)20-17(11-12-25-20)15-26-19-9-4-3-5-10-19/h3-13H,14-15H2,1-2H3
InChIKeyWDJFGQDTEFKELJ-UHFFFAOYSA-N
XLogP4.85
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N-[[3-(methylcarbamoyl)phenyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78853234
N-[3-(dimethylcarbamoyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 134046258
2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 107722488
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 54980615
2-[(3-methoxyphenyl)sulfanylmethyl]benzoic acid
CID 13154004
2-(3-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanone
CID 61079154
cis-(1S,2R)-2-[(3-methoxyphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93376998
N-[(3-methoxyphenyl)methyl]-N-methyl-1H-indole-2-carboxamide
CID 29217686
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 78787642
N-[(6-methoxynaphthalen-2-yl)methyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide
CID 35041609
5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 56934041

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide (CID 78829783) is N-[(3-methoxyphenyl)methyl]-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide is COc1cccc(CN(C)C(=O)c2occc2CSc2ccccc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is WDJFGQDTEFKELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S/c1-22(14-16-7-6-8-18(13-16)24-2)21(23)20-17(11-12-25-20)15-26-19-9-4-3-5-10-19/h3-13H,14-15H2,1-2H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 78829783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).