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

C21H20N2O3S — CID 78853234

IUPACN-[[3-(methylcarbamoyl)phenyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)c2occc2CSc2ccccc2)c1
InChIInChI=1S/C21H20N2O3S/c1-22-20(24)16-7-5-6-15(12-16)13-23-21(25)19-17(10-11-26-19)14-27-18-8-3-2-4-9-18/h2-12H,13-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyVZMCNYOZZBTFTR-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.86
Rot. Bonds7

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

N-[[3-(methylcarbamoyl)phenyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide (PubChem CID 78853234) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[[3-(methylcarbamoyl)phenyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(methylcarbamoyl)phenyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
PubChem CID78853234
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-[[3-(methylcarbamoyl)phenyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)c2occc2CSc2ccccc2)c1
InChIInChI=1S/C21H20N2O3S/c1-22-20(24)16-7-5-6-15(12-16)13-23-21(25)19-17(10-11-26-19)14-27-18-8-3-2-4-9-18/h2-12H,13-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyVZMCNYOZZBTFTR-UHFFFAOYSA-N
XLogP3.86
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(phenylsulfanylmethyl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide
CID 60621795
N-[(2,3-dimethoxyphenyl)methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78851820
N-(3-hydroxybutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 111433757
N'-(2-methylpropanoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide
CID 78830024
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78879225
N'-(4-bromobenzoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide
CID 78829710
N-[[3-(methoxymethyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46487559
N-methyl-3-[(2-phenylbutanoylamino)methyl]benzamide
CID 46592660
3-[(3-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581820
3-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]-N-methylbenzamide;hydroiodide
CID 110952739
N-[(2,6-dimethoxyphenyl)methyl]-3-(phenylsulfanylmethyl)benzamide
CID 173203978
3-(phenylsulfanylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
CID 119512463

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methylcarbamoyl)phenyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-[[3-(methylcarbamoyl)phenyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide (CID 78853234) is N-[[3-(methylcarbamoyl)phenyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[[3-(methylcarbamoyl)phenyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[[3-(methylcarbamoyl)phenyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide is CNC(=O)c1cccc(CNC(=O)c2occc2CSc2ccccc2)c1.
What is the InChIKey of N-[[3-(methylcarbamoyl)phenyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is VZMCNYOZZBTFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-22-20(24)16-7-5-6-15(12-16)13-23-21(25)19-17(10-11-26-19)14-27-18-8-3-2-4-9-18/h2-12H,13-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[[3-(methylcarbamoyl)phenyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
N-[[3-(methylcarbamoyl)phenyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methylcarbamoyl)phenyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 78853234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).