N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(phenylsulfanylmethyl)benzamide

C21H21NO2S — CID 31151066

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(phenylsulfanylmethyl)benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(CSc3ccccc3)cc2)o1
InChIInChI=1S/C21H21NO2S/c1-16-8-13-19(24-16)14-22(2)21(23)18-11-9-17(10-12-18)15-25-20-6-4-3-5-7-20/h3-13H,14-15H2,1-2H3
InChIKeyFFAYDLJXMBFNMN-UHFFFAOYSA-N
MW351.47 g/mol
LogP5.15
Rot. Bonds6

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(phenylsulfanylmethyl)benzamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(phenylsulfanylmethyl)benzamide (PubChem CID 31151066) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(phenylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(phenylsulfanylmethyl)benzamide
PubChem CID31151066
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(phenylsulfanylmethyl)benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(CSc3ccccc3)cc2)o1
InChIInChI=1S/C21H21NO2S/c1-16-8-13-19(24-16)14-22(2)21(23)18-11-9-17(10-12-18)15-25-20-6-4-3-5-7-20/h3-13H,14-15H2,1-2H3
InChIKeyFFAYDLJXMBFNMN-UHFFFAOYSA-N
XLogP5.15
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(acetamidomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 32754986
4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 43519484
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide
CID 2461260
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylsulfanylpropanamide
CID 78768708
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7535670
N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 8991195
1-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide
CID 29221167
2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide
CID 56809035
4-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 7958609
N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 4807520
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pentoxybenzamide
CID 112790552
3-(4-ethylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 78794973

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(phenylsulfanylmethyl)benzamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(phenylsulfanylmethyl)benzamide (CID 31151066) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(phenylsulfanylmethyl)benzamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(phenylsulfanylmethyl)benzamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(phenylsulfanylmethyl)benzamide is Cc1ccc(CN(C)C(=O)c2ccc(CSc3ccccc3)cc2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(phenylsulfanylmethyl)benzamide?
The InChIKey is FFAYDLJXMBFNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-16-8-13-19(24-16)14-22(2)21(23)18-11-9-17(10-12-18)15-25-20-6-4-3-5-7-20/h3-13H,14-15H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(phenylsulfanylmethyl)benzamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(phenylsulfanylmethyl)benzamide has a molecular weight of 351.47 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(phenylsulfanylmethyl)benzamide is sourced from PubChem (CID 31151066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).