N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C17H21N3O5S — CID 70752609

IUPACN-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(=O)c2cc(C)c(C)[nH]c2=O)cc1
InChIInChI=1S/C17H21N3O5S/c1-11-10-15(17(22)20-12(11)2)16(21)18-8-9-19-26(23,24)14-6-4-13(25-3)5-7-14/h4-7,10,19H,8-9H2,1-3H3,(H,18,21)(H,20,22)
InChIKeyQFGQCIQLEBIISG-UHFFFAOYSA-N
MW379.44 g/mol
LogP0.71
Rot. Bonds7

About N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 70752609) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID70752609
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC NameN-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(=O)c2cc(C)c(C)[nH]c2=O)cc1
InChIInChI=1S/C17H21N3O5S/c1-11-10-15(17(22)20-12(11)2)16(21)18-8-9-19-26(23,24)14-6-4-13(25-3)5-7-14/h4-7,10,19H,8-9H2,1-3H3,(H,18,21)(H,20,22)
InChIKeyQFGQCIQLEBIISG-UHFFFAOYSA-N
XLogP0.71
TPSA117.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718082
4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718070
2-chloro-4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 33430634
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-oxochromene-3-carboxamide
CID 33430522
1-(4-methoxyphenyl)-2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrole-3-carboxamide
CID 35353199
N-[2-(benzenesulfonamido)ethyl]-2-fluoro-4-methoxybenzamide
CID 86922045
N-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide
CID 108571361
N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-3,5-dimethoxybenzamide
CID 108571354
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70754575
5-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-2-methoxybenzamide
CID 108572214
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108571060
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119500095

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 70752609) is N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is COc1ccc(S(=O)(=O)NCCNC(=O)c2cc(C)c(C)[nH]c2=O)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QFGQCIQLEBIISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-11-10-15(17(22)20-12(11)2)16(21)18-8-9-19-26(23,24)14-6-4-13(25-3)5-7-14/h4-7,10,19H,8-9H2,1-3H3,(H,18,21)(H,20,22).
What are the key properties of N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 0.71, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 70752609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).