2-methylsulfanyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide

C18H16N2OS2 — CID 91625621

IUPAC2-methylsulfanyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide
SMILESCSc1ccccc1C(=O)NCc1ccnc(-c2ccsc2)c1
InChIInChI=1S/C18H16N2OS2/c1-22-17-5-3-2-4-15(17)18(21)20-11-13-6-8-19-16(10-13)14-7-9-23-12-14/h2-10,12H,11H2,1H3,(H,20,21)
InChIKeyRTVFLOBNCGNLPR-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.46
Rot. Bonds5

About 2-methylsulfanyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide

2-methylsulfanyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide (PubChem CID 91625621) has the molecular formula C18H16N2OS2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide
PubChem CID91625621
Molecular FormulaC18H16N2OS2
Molecular Weight340.47 g/mol
Exact Mass340.07
IUPAC Name2-methylsulfanyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide
SMILESCSc1ccccc1C(=O)NCc1ccnc(-c2ccsc2)c1
InChIInChI=1S/C18H16N2OS2/c1-22-17-5-3-2-4-15(17)18(21)20-11-13-6-8-19-16(10-13)14-7-9-23-12-14/h2-10,12H,11H2,1H3,(H,20,21)
InChIKeyRTVFLOBNCGNLPR-UHFFFAOYSA-N
XLogP4.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-ditert-butyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide
CID 121165766
(2R)-2-phenoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide
CID 100744368
2-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121165721
5-chloro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 91625615
2-methylsulfanyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 121165300
2-(2-methylphenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 91625620
2-methylsulfanyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzamide
CID 122246057
2-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 121165718
N-[(3-methylphenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide
CID 53036784
1-(2-methoxyphenyl)-3-[(2-thiophen-3-yl-4-pyridinyl)methyl]urea
CID 91625691
N-benzyl-2-methylsulfanylbenzamide
CID 966900
2-(2-chloro-6-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 91625659

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 2-methylsulfanyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide (CID 91625621) is 2-methylsulfanyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 2-methylsulfanyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide is CSc1ccccc1C(=O)NCc1ccnc(-c2ccsc2)c1.
What is the InChIKey of 2-methylsulfanyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide?
The InChIKey is RTVFLOBNCGNLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS2/c1-22-17-5-3-2-4-15(17)18(21)20-11-13-6-8-19-16(10-13)14-7-9-23-12-14/h2-10,12H,11H2,1H3,(H,20,21).
What are the key properties of 2-methylsulfanyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide?
2-methylsulfanyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide has a molecular weight of 340.47 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 91625621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).