4-[(4-methylphenyl)sulfonylmethyl]-N-(5-piperidin-1-yl-2-pyridinyl)benzamide

C25H27N3O3S — CID 78899579

IUPAC4-[(4-methylphenyl)sulfonylmethyl]-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
SMILESCc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(N4CCCCC4)cn3)cc2)cc1
InChIInChI=1S/C25H27N3O3S/c1-19-5-12-23(13-6-19)32(30,31)18-20-7-9-21(10-8-20)25(29)27-24-14-11-22(17-26-24)28-15-3-2-4-16-28/h5-14,17H,2-4,15-16,18H2,1H3,(H,26,27,29)
InChIKeyYEYZOVHKDOJKMS-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.61
Rot. Bonds6

About 4-[(4-methylphenyl)sulfonylmethyl]-N-(5-piperidin-1-yl-2-pyridinyl)benzamide

4-[(4-methylphenyl)sulfonylmethyl]-N-(5-piperidin-1-yl-2-pyridinyl)benzamide (PubChem CID 78899579) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is 4-[(4-methylphenyl)sulfonylmethyl]-N-(5-piperidin-1-yl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[(4-methylphenyl)sulfonylmethyl]-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
PubChem CID78899579
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC Name4-[(4-methylphenyl)sulfonylmethyl]-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
SMILESCc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(N4CCCCC4)cn3)cc2)cc1
InChIInChI=1S/C25H27N3O3S/c1-19-5-12-23(13-6-19)32(30,31)18-20-7-9-21(10-8-20)25(29)27-24-14-11-22(17-26-24)28-15-3-2-4-16-28/h5-14,17H,2-4,15-16,18H2,1H3,(H,26,27,29)
InChIKeyYEYZOVHKDOJKMS-UHFFFAOYSA-N
XLogP4.61
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
CID 32947923
N-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide
CID 39072257
ethyl 4-[6-[(4-methylbenzoyl)amino]-3-pyridinyl]piperazine-1-carboxylate
CID 113029292
4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021054
4-(furan-2-ylmethylsulfamoyl)-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
CID 78878198
(2S)-1-(4-methylphenyl)sulfonyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 32947927
4-[(4-methylphenyl)sulfonylmethyl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 112832711
6-pyrrolidin-1-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyridine-3-carboxamide
CID 154735988
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195
N-[5-(aminomethyl)-2-pyridinyl]-4-methylbenzamide
CID 55063231
4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide
CID 51274530
1-(4-methylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 37353093

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)sulfonylmethyl]-N-(5-piperidin-1-yl-2-pyridinyl)benzamide?
The IUPAC name of 4-[(4-methylphenyl)sulfonylmethyl]-N-(5-piperidin-1-yl-2-pyridinyl)benzamide (CID 78899579) is 4-[(4-methylphenyl)sulfonylmethyl]-N-(5-piperidin-1-yl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[(4-methylphenyl)sulfonylmethyl]-N-(5-piperidin-1-yl-2-pyridinyl)benzamide?
The canonical SMILES for 4-[(4-methylphenyl)sulfonylmethyl]-N-(5-piperidin-1-yl-2-pyridinyl)benzamide is Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(N4CCCCC4)cn3)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)sulfonylmethyl]-N-(5-piperidin-1-yl-2-pyridinyl)benzamide?
The InChIKey is YEYZOVHKDOJKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-19-5-12-23(13-6-19)32(30,31)18-20-7-9-21(10-8-20)25(29)27-24-14-11-22(17-26-24)28-15-3-2-4-16-28/h5-14,17H,2-4,15-16,18H2,1H3,(H,26,27,29).
What are the key properties of 4-[(4-methylphenyl)sulfonylmethyl]-N-(5-piperidin-1-yl-2-pyridinyl)benzamide?
4-[(4-methylphenyl)sulfonylmethyl]-N-(5-piperidin-1-yl-2-pyridinyl)benzamide has a molecular weight of 449.58 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)sulfonylmethyl]-N-(5-piperidin-1-yl-2-pyridinyl)benzamide is sourced from PubChem (CID 78899579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).