1-[2-(dimethylamino)ethyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-3-sulfonamide

C25H31N3O5S — CID 137402503

IUPAC1-[2-(dimethylamino)ethyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-3-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(=O)n(CCN(C)C)c2)cc1
InChIInChI=1S/C25H31N3O5S/c1-26(2)15-16-27-19-24(13-14-25(27)29)34(30,31)28(17-20-5-9-22(32-3)10-6-20)18-21-7-11-23(33-4)12-8-21/h5-14,19H,15-18H2,1-4H3
InChIKeyRTKQEYXQHMGRQC-UHFFFAOYSA-N
MW485.61 g/mol
LogP2.82
Rot. Bonds11

About 1-[2-(dimethylamino)ethyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-3-sulfonamide

1-[2-(dimethylamino)ethyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-3-sulfonamide (PubChem CID 137402503) has the molecular formula C25H31N3O5S and a molecular weight of 485.61 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-3-sulfonamide
PubChem CID137402503
Molecular FormulaC25H31N3O5S
Molecular Weight485.61 g/mol
Exact Mass485.20
IUPAC Name1-[2-(dimethylamino)ethyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-3-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(=O)n(CCN(C)C)c2)cc1
InChIInChI=1S/C25H31N3O5S/c1-26(2)15-16-27-19-24(13-14-25(27)29)34(30,31)28(17-20-5-9-22(32-3)10-6-20)18-21-7-11-23(33-4)12-8-21/h5-14,19H,15-18H2,1-4H3
InChIKeyRTKQEYXQHMGRQC-UHFFFAOYSA-N
XLogP2.82
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-(dimethylamino)ethyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-3-sulfonamide with MolForge

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Related Compounds

1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 9281789
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N,N-bis[(4-methoxyphenyl)methyl]-3-nitro-4-phosphanylbenzenesulfonamide
CID 170368358
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7768251
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
1-benzylsulfonyl-N,N-bis[(4-methoxyphenyl)methyl]pyrrole-3-sulfonamide
CID 156904790
N-[(4-methoxyphenyl)methyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide
CID 24806524
N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 3696608
3-acetyl-4-bromo-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 146592128
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
1-(2-hydroxyethyl)-N,N-bis[(4-methoxyphenyl)methyl]-2-methylimidazole-4-sulfonamide;1-(2-hydroxyethyl)-2-methylimidazole-4-sulfonamide
CID 158630360
1-ethyl-N,N-bis[(4-methoxyphenyl)methyl]-2-methylimidazole-4-sulfonamide;1-ethyl-2-methylimidazole-4-sulfonamide
CID 160613423

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-3-sulfonamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-3-sulfonamide (CID 137402503) is 1-[2-(dimethylamino)ethyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-3-sulfonamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-3-sulfonamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(=O)n(CCN(C)C)c2)cc1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-3-sulfonamide?
The InChIKey is RTKQEYXQHMGRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5S/c1-26(2)15-16-27-19-24(13-14-25(27)29)34(30,31)28(17-20-5-9-22(32-3)10-6-20)18-21-7-11-23(33-4)12-8-21/h5-14,19H,15-18H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-3-sulfonamide?
1-[2-(dimethylamino)ethyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-3-sulfonamide has a molecular weight of 485.61 g/mol, XLogP of 2.82, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 137402503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).