N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide

C18H22N2O4S — CID 49354766

IUPACN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide
SMILESCOc1c(C)cnc(CNC(=O)c2cc(S(C)(=O)=O)ccc2C)c1C
InChIInChI=1S/C18H22N2O4S/c1-11-6-7-14(25(5,22)23)8-15(11)18(21)20-10-16-13(3)17(24-4)12(2)9-19-16/h6-9H,10H2,1-5H3,(H,20,21)
InChIKeyZHEXRCDXWOSPGX-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.35
Rot. Bonds5

About N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide (PubChem CID 49354766) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide
PubChem CID49354766
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide
SMILESCOc1c(C)cnc(CNC(=O)c2cc(S(C)(=O)=O)ccc2C)c1C
InChIInChI=1S/C18H22N2O4S/c1-11-6-7-14(25(5,22)23)8-15(11)18(21)20-10-16-13(3)17(24-4)12(2)9-19-16/h6-9H,10H2,1-5H3,(H,20,21)
InChIKeyZHEXRCDXWOSPGX-UHFFFAOYSA-N
XLogP2.35
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzamide
CID 49354460
2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide
CID 49353824
2-methyl-N-[2-(2-methylpropanoylamino)ethyl]-5-methylsulfonylbenzamide
CID 78779008
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 49354549
N-[(2S)-2-hydroxypropyl]-2-methyl-5-methylsulfonylbenzamide
CID 83029859
2-methyl-N-[3-(methylamino)propyl]-5-methylsulfonylbenzamide;hydrochloride
CID 119432199
2-[[(2-methyl-5-methylsulfonylbenzoyl)amino]methyl]butanoic acid
CID 65217875
tert-butyl N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]carbamate
CID 49354339
(2S)-2-hydroxy-4-[(2-methyl-5-methylsulfonylbenzoyl)amino]butanoic acid
CID 107834458
(2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpentanamide
CID 95315582
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 78768992
6-[(2-methyl-5-methylsulfonylbenzoyl)amino]hexanoic acid
CID 119219761

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide?
The IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide (CID 49354766) is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide?
The canonical SMILES for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide is COc1c(C)cnc(CNC(=O)c2cc(S(C)(=O)=O)ccc2C)c1C.
What is the InChIKey of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide?
The InChIKey is ZHEXRCDXWOSPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-11-6-7-14(25(5,22)23)8-15(11)18(21)20-10-16-13(3)17(24-4)12(2)9-19-16/h6-9H,10H2,1-5H3,(H,20,21).
What are the key properties of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide?
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide has a molecular weight of 362.45 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 49354766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).