4-methyl-N-[6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3-pyridinyl]benzenesulfonamide

C19H23N3O5S — CID 87050646

IUPAC4-methyl-N-[6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)N3CCOCC3)c2=O)cc1
InChIInChI=1S/C19H23N3O5S/c1-14-3-6-16(7-4-14)28(25,26)20-17-8-5-15(2)22(19(17)24)13-18(23)21-9-11-27-12-10-21/h3-8,20H,9-13H2,1-2H3
InChIKeyUSJJWHKJGXRNJT-UHFFFAOYSA-N
MW405.48 g/mol
LogP1.12
Rot. Bonds5

About 4-methyl-N-[6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3-pyridinyl]benzenesulfonamide

4-methyl-N-[6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3-pyridinyl]benzenesulfonamide (PubChem CID 87050646) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-methyl-N-[6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3-pyridinyl]benzenesulfonamide
PubChem CID87050646
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name4-methyl-N-[6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)N3CCOCC3)c2=O)cc1
InChIInChI=1S/C19H23N3O5S/c1-14-3-6-16(7-4-14)28(25,26)20-17-8-5-15(2)22(19(17)24)13-18(23)21-9-11-27-12-10-21/h3-8,20H,9-13H2,1-2H3
InChIKeyUSJJWHKJGXRNJT-UHFFFAOYSA-N
XLogP1.12
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[6-methyl-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide
CID 95100121
2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide
CID 53161461
2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(pyridin-4-ylmethyl)acetamide
CID 87050645
N-(2-methoxyphenyl)-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
CID 53161468
2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetic acid
CID 12072027
N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
CID 22178641
N-(2,3-dimethylphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 53080479
4-methyl-N-[(2R)-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide
CID 27241664
4-methyl-N-[1-[10-[2-[(4-methylphenyl)sulfonylamino]butanoyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]-1-oxobutan-2-yl]benzenesulfonamide
CID 3110901
N-(3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl)-4-methylbenzenesulfonamide
CID 134917744
4-methyl-N-[1-[13-[2-[(4-methylphenyl)sulfonylamino]butanoyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-1-oxobutan-2-yl]benzenesulfonamide
CID 3110902
4-methyl-N-[(2R)-4-methyl-1-[16-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-1-oxopentan-2-yl]benzenesulfonamide
CID 124600524

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3-pyridinyl]benzenesulfonamide (CID 87050646) is 4-methyl-N-[6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3-pyridinyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)N3CCOCC3)c2=O)cc1.
What is the InChIKey of 4-methyl-N-[6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3-pyridinyl]benzenesulfonamide?
The InChIKey is USJJWHKJGXRNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-14-3-6-16(7-4-14)28(25,26)20-17-8-5-15(2)22(19(17)24)13-18(23)21-9-11-27-12-10-21/h3-8,20H,9-13H2,1-2H3.
What are the key properties of 4-methyl-N-[6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3-pyridinyl]benzenesulfonamide?
4-methyl-N-[6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3-pyridinyl]benzenesulfonamide has a molecular weight of 405.48 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 87050646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).