4-[2-cyclopentyl-1-(5-methyl-6-oxo-1H-pyridin-2-yl)ethenyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide

C22H28N2O4S — CID 67398996

IUPAC4-[2-cyclopentyl-1-(5-methyl-6-oxo-1H-pyridin-2-yl)ethenyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
SMILESCc1ccc(C(=CC2CCCC2)c2ccc(S(=O)(=O)N(C)CCO)cc2)[nH]c1=O
InChIInChI=1S/C22H28N2O4S/c1-16-7-12-21(23-22(16)26)20(15-17-5-3-4-6-17)18-8-10-19(11-9-18)29(27,28)24(2)13-14-25/h7-12,15,17,25H,3-6,13-14H2,1-2H3,(H,23,26)
InChIKeyIRTUNGXAIXDGPN-UHFFFAOYSA-N
MW416.54 g/mol
LogP2.92
Rot. Bonds7

About 4-[2-cyclopentyl-1-(5-methyl-6-oxo-1H-pyridin-2-yl)ethenyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide

4-[2-cyclopentyl-1-(5-methyl-6-oxo-1H-pyridin-2-yl)ethenyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide (PubChem CID 67398996) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 4-[2-cyclopentyl-1-(5-methyl-6-oxo-1H-pyridin-2-yl)ethenyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-cyclopentyl-1-(5-methyl-6-oxo-1H-pyridin-2-yl)ethenyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
PubChem CID67398996
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name4-[2-cyclopentyl-1-(5-methyl-6-oxo-1H-pyridin-2-yl)ethenyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
SMILESCc1ccc(C(=CC2CCCC2)c2ccc(S(=O)(=O)N(C)CCO)cc2)[nH]c1=O
InChIInChI=1S/C22H28N2O4S/c1-16-7-12-21(23-22(16)26)20(15-17-5-3-4-6-17)18-8-10-19(11-9-18)29(27,28)24(2)13-14-25/h7-12,15,17,25H,3-6,13-14H2,1-2H3,(H,23,26)
InChIKeyIRTUNGXAIXDGPN-UHFFFAOYSA-N
XLogP2.92
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(E)-2-cyclopentyl-1-(4-cyclopropylsulfonylphenyl)ethenyl]-3-(hydroxymethyl)-1H-pyridin-2-one
CID 58452815
4-[2-hydroxyethyl(methyl)sulfamoyl]benzenecarbothioamide
CID 54879331
6-[2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67399724
6-[1-(4-cyclopropylsulfonylphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-3-ethyl-1H-pyridin-2-one
CID 67399288
N-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 11287998
4-chloro-N-(2-hydroxyethyl)-N,3-dimethylbenzenesulfonamide
CID 39363651
2-[(E)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 67228625
4-[5-hydroxypentyl(methyl)sulfamoyl]benzenecarbothioamide
CID 107199767
N-(2-hydroxyethyl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
CID 54879645
N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 131929134
2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]acetamide
CID 154513801
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-cyclohexyloxypropyl)butanamide
CID 18228839

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopentyl-1-(5-methyl-6-oxo-1H-pyridin-2-yl)ethenyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-[2-cyclopentyl-1-(5-methyl-6-oxo-1H-pyridin-2-yl)ethenyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide (CID 67398996) is 4-[2-cyclopentyl-1-(5-methyl-6-oxo-1H-pyridin-2-yl)ethenyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[2-cyclopentyl-1-(5-methyl-6-oxo-1H-pyridin-2-yl)ethenyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[2-cyclopentyl-1-(5-methyl-6-oxo-1H-pyridin-2-yl)ethenyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide is Cc1ccc(C(=CC2CCCC2)c2ccc(S(=O)(=O)N(C)CCO)cc2)[nH]c1=O.
What is the InChIKey of 4-[2-cyclopentyl-1-(5-methyl-6-oxo-1H-pyridin-2-yl)ethenyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is IRTUNGXAIXDGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-16-7-12-21(23-22(16)26)20(15-17-5-3-4-6-17)18-8-10-19(11-9-18)29(27,28)24(2)13-14-25/h7-12,15,17,25H,3-6,13-14H2,1-2H3,(H,23,26).
What are the key properties of 4-[2-cyclopentyl-1-(5-methyl-6-oxo-1H-pyridin-2-yl)ethenyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
4-[2-cyclopentyl-1-(5-methyl-6-oxo-1H-pyridin-2-yl)ethenyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 416.54 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopentyl-1-(5-methyl-6-oxo-1H-pyridin-2-yl)ethenyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 67398996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).