N-[1-(1-benzofuran-2-yl)ethyl]-4-(methylsulfanylmethyl)benzamide

C19H19NO2S — CID 45353703

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NC(C)c2cc3ccccc3o2)cc1
InChIInChI=1S/C19H19NO2S/c1-13(18-11-16-5-3-4-6-17(16)22-18)20-19(21)15-9-7-14(8-10-15)12-23-2/h3-11,13H,12H2,1-2H3,(H,20,21)
InChIKeyXNEYKJKMUHOIRB-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.79
Rot. Bonds5

About N-[1-(1-benzofuran-2-yl)ethyl]-4-(methylsulfanylmethyl)benzamide

N-[1-(1-benzofuran-2-yl)ethyl]-4-(methylsulfanylmethyl)benzamide (PubChem CID 45353703) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-4-(methylsulfanylmethyl)benzamide
PubChem CID45353703
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NC(C)c2cc3ccccc3o2)cc1
InChIInChI=1S/C19H19NO2S/c1-13(18-11-16-5-3-4-6-17(16)22-18)20-19(21)15-9-7-14(8-10-15)12-23-2/h3-11,13H,12H2,1-2H3,(H,20,21)
InChIKeyXNEYKJKMUHOIRB-UHFFFAOYSA-N
XLogP4.79
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]benzoate
CID 9367253
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 9194058
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]benzamide
CID 41139381
N-[1-(1-benzofuran-2-yl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 46489933
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide
CID 26383582
N-[1-(1-benzofuran-2-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46508806
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-fluoropyridine-3-carboxamide
CID 95318825
N-[1-(1-benzofuran-2-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 18086673
N-[4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9368629
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-tert-butylbenzamide
CID 46531576

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-4-(methylsulfanylmethyl)benzamide (CID 45353703) is N-[1-(1-benzofuran-2-yl)ethyl]-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)NC(C)c2cc3ccccc3o2)cc1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-4-(methylsulfanylmethyl)benzamide?
The InChIKey is XNEYKJKMUHOIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c1-13(18-11-16-5-3-4-6-17(16)22-18)20-19(21)15-9-7-14(8-10-15)12-23-2/h3-11,13H,12H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-4-(methylsulfanylmethyl)benzamide?
N-[1-(1-benzofuran-2-yl)ethyl]-4-(methylsulfanylmethyl)benzamide has a molecular weight of 325.43 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 45353703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).