N-[2-(dimethylamino)ethyl]-1-(1,4-dimethyl-6-oxo-3-pyridinyl)-N-(4-methylphenyl)methanesulfonamide

C19H27N3O3S — CID 123897445

IUPACN-[2-(dimethylamino)ethyl]-1-(1,4-dimethyl-6-oxo-3-pyridinyl)-N-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(N(CCN(C)C)S(=O)(=O)Cc2cn(C)c(=O)cc2C)cc1
InChIInChI=1S/C19H27N3O3S/c1-15-6-8-18(9-7-15)22(11-10-20(3)4)26(24,25)14-17-13-21(5)19(23)12-16(17)2/h6-9,12-13H,10-11,14H2,1-5H3
InChIKeyLHEWVYVBZACVGK-UHFFFAOYSA-N
MW377.51 g/mol
LogP1.90
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-1-(1,4-dimethyl-6-oxo-3-pyridinyl)-N-(4-methylphenyl)methanesulfonamide

N-[2-(dimethylamino)ethyl]-1-(1,4-dimethyl-6-oxo-3-pyridinyl)-N-(4-methylphenyl)methanesulfonamide (PubChem CID 123897445) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-(1,4-dimethyl-6-oxo-3-pyridinyl)-N-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-(1,4-dimethyl-6-oxo-3-pyridinyl)-N-(4-methylphenyl)methanesulfonamide
PubChem CID123897445
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC NameN-[2-(dimethylamino)ethyl]-1-(1,4-dimethyl-6-oxo-3-pyridinyl)-N-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(N(CCN(C)C)S(=O)(=O)Cc2cn(C)c(=O)cc2C)cc1
InChIInChI=1S/C19H27N3O3S/c1-15-6-8-18(9-7-15)22(11-10-20(3)4)26(24,25)14-17-13-21(5)19(23)12-16(17)2/h6-9,12-13H,10-11,14H2,1-5H3
InChIKeyLHEWVYVBZACVGK-UHFFFAOYSA-N
XLogP1.90
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-(1,4-dimethyl-6-oxo-3-pyridinyl)-N-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-(1,4-dimethyl-6-oxo-3-pyridinyl)-N-(4-methylphenyl)methanesulfonamide (CID 123897445) is N-[2-(dimethylamino)ethyl]-1-(1,4-dimethyl-6-oxo-3-pyridinyl)-N-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-(1,4-dimethyl-6-oxo-3-pyridinyl)-N-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-(1,4-dimethyl-6-oxo-3-pyridinyl)-N-(4-methylphenyl)methanesulfonamide is Cc1ccc(N(CCN(C)C)S(=O)(=O)Cc2cn(C)c(=O)cc2C)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-(1,4-dimethyl-6-oxo-3-pyridinyl)-N-(4-methylphenyl)methanesulfonamide?
The InChIKey is LHEWVYVBZACVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-15-6-8-18(9-7-15)22(11-10-20(3)4)26(24,25)14-17-13-21(5)19(23)12-16(17)2/h6-9,12-13H,10-11,14H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-1-(1,4-dimethyl-6-oxo-3-pyridinyl)-N-(4-methylphenyl)methanesulfonamide?
N-[2-(dimethylamino)ethyl]-1-(1,4-dimethyl-6-oxo-3-pyridinyl)-N-(4-methylphenyl)methanesulfonamide has a molecular weight of 377.51 g/mol, XLogP of 1.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-(1,4-dimethyl-6-oxo-3-pyridinyl)-N-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 123897445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).