N-(1-benzofuran-2-ylmethyl)-2-methyl-3-phenylsulfanylpropanamide

C19H19NO2S — CID 86933667

IUPACN-(1-benzofuran-2-ylmethyl)-2-methyl-3-phenylsulfanylpropanamide
SMILESCC(CSc1ccccc1)C(=O)NCc1cc2ccccc2o1
InChIInChI=1S/C19H19NO2S/c1-14(13-23-17-8-3-2-4-9-17)19(21)20-12-16-11-15-7-5-6-10-18(15)22-16/h2-11,14H,12-13H2,1H3,(H,20,21)
InChIKeySVECMAKBOJWKQD-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.48
Rot. Bonds6

About N-(1-benzofuran-2-ylmethyl)-2-methyl-3-phenylsulfanylpropanamide

N-(1-benzofuran-2-ylmethyl)-2-methyl-3-phenylsulfanylpropanamide (PubChem CID 86933667) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-2-methyl-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-2-methyl-3-phenylsulfanylpropanamide
PubChem CID86933667
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC NameN-(1-benzofuran-2-ylmethyl)-2-methyl-3-phenylsulfanylpropanamide
SMILESCC(CSc1ccccc1)C(=O)NCc1cc2ccccc2o1
InChIInChI=1S/C19H19NO2S/c1-14(13-23-17-8-3-2-4-9-17)19(21)20-12-16-11-15-7-5-6-10-18(15)22-16/h2-11,14H,12-13H2,1H3,(H,20,21)
InChIKeySVECMAKBOJWKQD-UHFFFAOYSA-N
XLogP4.48
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(2-methylphenyl)methyl]-3-phenylsulfanylpropanamide
CID 86933457
N-[[4-(dimethylamino)-2-methylphenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86956589
N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933520
N-[[3-(dimethylamino)phenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86935244
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
(1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 28609841
5-[[2-(1-benzofuran-2-yl)propanoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 75472197
1-(1-benzofuran-2-ylmethyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924364
2-(1-benzofuran-2-ylmethylamino)propanamide
CID 43402391
2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride
CID 120830198
N-(1-benzofuran-2-ylmethyl)-2-(4-cyanophenoxy)propanamide
CID 86994457
1-(1-benzofuran-2-ylmethyl)-3-(4-hydroxy-3-methylsulfanylbutan-2-yl)urea
CID 111443751

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-methyl-3-phenylsulfanylpropanamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-methyl-3-phenylsulfanylpropanamide (CID 86933667) is N-(1-benzofuran-2-ylmethyl)-2-methyl-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-2-methyl-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-2-methyl-3-phenylsulfanylpropanamide is CC(CSc1ccccc1)C(=O)NCc1cc2ccccc2o1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-2-methyl-3-phenylsulfanylpropanamide?
The InChIKey is SVECMAKBOJWKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c1-14(13-23-17-8-3-2-4-9-17)19(21)20-12-16-11-15-7-5-6-10-18(15)22-16/h2-11,14H,12-13H2,1H3,(H,20,21).
What are the key properties of N-(1-benzofuran-2-ylmethyl)-2-methyl-3-phenylsulfanylpropanamide?
N-(1-benzofuran-2-ylmethyl)-2-methyl-3-phenylsulfanylpropanamide has a molecular weight of 325.43 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-2-methyl-3-phenylsulfanylpropanamide is sourced from PubChem (CID 86933667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).