2-methylsulfanyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzamide

C18H19N3O2S — CID 122246057

IUPAC2-methylsulfanyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzamide
SMILESCSc1ccccc1C(=O)NCc1ccnc(N2CCCC2=O)c1
InChIInChI=1S/C18H19N3O2S/c1-24-15-6-3-2-5-14(15)18(23)20-12-13-8-9-19-16(11-13)21-10-4-7-17(21)22/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,20,23)
InChIKeyHKHXOPQUTQOOTG-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.86
Rot. Bonds5

About 2-methylsulfanyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzamide

2-methylsulfanyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzamide (PubChem CID 122246057) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzamide
PubChem CID122246057
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-methylsulfanyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzamide
SMILESCSc1ccccc1C(=O)NCc1ccnc(N2CCCC2=O)c1
InChIInChI=1S/C18H19N3O2S/c1-24-15-6-3-2-5-14(15)18(23)20-12-13-8-9-19-16(11-13)21-10-4-7-17(21)22/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,20,23)
InChIKeyHKHXOPQUTQOOTG-UHFFFAOYSA-N
XLogP2.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylsulfanyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzamide
CID 122246109
4-methyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]thiophene-2-carboxamide
CID 122246051
3-(2-methylphenyl)-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]propanamide
CID 122246073
2-methylsulfanyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide
CID 91625621
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122162248
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide
CID 122246103
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 122246123
benzyl N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methylamino]ethyl]carbamate
CID 122246102
2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 119946403
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122246090
2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946399
1-(2-methylsulfanylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 87003359

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzamide?
The IUPAC name of 2-methylsulfanyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzamide (CID 122246057) is 2-methylsulfanyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzamide?
The canonical SMILES for 2-methylsulfanyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzamide is CSc1ccccc1C(=O)NCc1ccnc(N2CCCC2=O)c1.
What is the InChIKey of 2-methylsulfanyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzamide?
The InChIKey is HKHXOPQUTQOOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-24-15-6-3-2-5-14(15)18(23)20-12-13-8-9-19-16(11-13)21-10-4-7-17(21)22/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,20,23).
What are the key properties of 2-methylsulfanyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzamide?
2-methylsulfanyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzamide has a molecular weight of 341.44 g/mol, XLogP of 2.86, 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-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzamide is sourced from PubChem (CID 122246057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).