2-ethylsulfanyl-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide

C19H18N2O2S — CID 121197010

IUPAC2-ethylsulfanyl-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
SMILESCCSc1ccccc1C(=O)NCc1cncc(-c2ccco2)c1
InChIInChI=1S/C19H18N2O2S/c1-2-24-18-8-4-3-6-16(18)19(22)21-12-14-10-15(13-20-11-14)17-7-5-9-23-17/h3-11,13H,2,12H2,1H3,(H,21,22)
InChIKeyIAVWXEBPLRKMGK-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.38
Rot. Bonds6

About 2-ethylsulfanyl-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide

2-ethylsulfanyl-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 121197010) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
PubChem CID121197010
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name2-ethylsulfanyl-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
SMILESCCSc1ccccc1C(=O)NCc1cncc(-c2ccco2)c1
InChIInChI=1S/C19H18N2O2S/c1-2-24-18-8-4-3-6-16(18)19(22)21-12-14-10-15(13-20-11-14)17-7-5-9-23-17/h3-11,13H,2,12H2,1H3,(H,21,22)
InChIKeyIAVWXEBPLRKMGK-UHFFFAOYSA-N
XLogP4.38
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfanyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzamide
CID 122273907
2-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197121
5-bromo-2-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197085
3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea
CID 121197182
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]quinoline-2-carboxamide
CID 121197126
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 121196995
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide
CID 121197015
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethoxybenzamide
CID 121197008
4-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 119105467
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 121197199
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 121197168
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-pyrrol-1-ylacetamide
CID 121197083

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 2-ethylsulfanyl-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide (CID 121197010) is 2-ethylsulfanyl-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide is CCSc1ccccc1C(=O)NCc1cncc(-c2ccco2)c1.
What is the InChIKey of 2-ethylsulfanyl-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is IAVWXEBPLRKMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-2-24-18-8-4-3-6-16(18)19(22)21-12-14-10-15(13-20-11-14)17-7-5-9-23-17/h3-11,13H,2,12H2,1H3,(H,21,22).
What are the key properties of 2-ethylsulfanyl-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide?
2-ethylsulfanyl-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide has a molecular weight of 338.43 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 121197010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).