3-methylsulfonyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide

C18H21N3O3S — CID 36753456

IUPAC3-methylsulfonyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NCc2ccnc(N3CCCC3)c2)c1
InChIInChI=1S/C18H21N3O3S/c1-25(23,24)16-6-4-5-15(12-16)18(22)20-13-14-7-8-19-17(11-14)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,20,22)
InChIKeyWFXZMCDZAWFBOF-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.02
Rot. Bonds5

About 3-methylsulfonyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide

3-methylsulfonyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide (PubChem CID 36753456) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 3-methylsulfonyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
PubChem CID36753456
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name3-methylsulfonyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NCc2ccnc(N3CCCC3)c2)c1
InChIInChI=1S/C18H21N3O3S/c1-25(23,24)16-6-4-5-15(12-16)18(22)20-13-14-7-8-19-17(11-14)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,20,22)
InChIKeyWFXZMCDZAWFBOF-UHFFFAOYSA-N
XLogP2.02
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methylsulfamoyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 37312302
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(sulfamoylmethyl)benzamide
CID 167759916
4-(methylsulfonylmethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 36753625
3-[phenyl(prop-2-enyl)sulfamoyl]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 17482321
4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55522332
4-[methoxy(methyl)sulfamoyl]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55534313
1-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 37311695
N-[(2-ethoxy-4-pyridinyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55707675
3-(propan-2-ylsulfamoyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide
CID 46400175
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 36757414
3-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119846311
2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 119946403

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 3-methylsulfonyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide (CID 36753456) is 3-methylsulfonyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-methylsulfonyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-methylsulfonyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide is CS(=O)(=O)c1cccc(C(=O)NCc2ccnc(N3CCCC3)c2)c1.
What is the InChIKey of 3-methylsulfonyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide?
The InChIKey is WFXZMCDZAWFBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-25(23,24)16-6-4-5-15(12-16)18(22)20-13-14-7-8-19-17(11-14)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,20,22).
What are the key properties of 3-methylsulfonyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide?
3-methylsulfonyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide has a molecular weight of 359.45 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 36753456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).