2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide

C20H25N3O5S — CID 53161461

IUPAC2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCC3CCCO3)c2=O)cc1
InChIInChI=1S/C20H25N3O5S/c1-14-5-8-17(9-6-14)29(26,27)22-18-10-7-15(2)23(20(18)25)13-19(24)21-12-16-4-3-11-28-16/h5-10,16,22H,3-4,11-13H2,1-2H3,(H,21,24)
InChIKeyLJFFUTMDGQKKCD-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.56
Rot. Bonds7

About 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide

2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 53161461) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID53161461
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCC3CCCO3)c2=O)cc1
InChIInChI=1S/C20H25N3O5S/c1-14-5-8-17(9-6-14)29(26,27)22-18-10-7-15(2)23(20(18)25)13-19(24)21-12-16-4-3-11-28-16/h5-10,16,22H,3-4,11-13H2,1-2H3,(H,21,24)
InChIKeyLJFFUTMDGQKKCD-UHFFFAOYSA-N
XLogP1.56
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(pyridin-4-ylmethyl)acetamide
CID 87050645
N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
CID 22178641
2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 126478767
2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 92884777
N-(2-methoxyphenyl)-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
CID 53161468
3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 112760521
4-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981233
4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 7964739
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7713076
2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 30479133
N-[[(2R)-oxolan-2-yl]methyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8819159
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943682

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide (CID 53161461) is 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide is Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCC3CCCO3)c2=O)cc1.
What is the InChIKey of 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is LJFFUTMDGQKKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-14-5-8-17(9-6-14)29(26,27)22-18-10-7-15(2)23(20(18)25)13-19(24)21-12-16-4-3-11-28-16/h5-10,16,22H,3-4,11-13H2,1-2H3,(H,21,24).
What are the key properties of 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide?
2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 419.50 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 53161461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).