2-(2-methoxyethyl)-3-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1H-isoindole-4-carboxamide

C23H27N3O5S — CID 3245754

IUPAC2-(2-methoxyethyl)-3-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2C1=O
InChIInChI=1S/C23H27N3O5S/c1-31-15-14-25-16-17-6-5-7-20(21(17)23(25)28)22(27)24-18-8-10-19(11-9-18)32(29,30)26-12-3-2-4-13-26/h5-11H,2-4,12-16H2,1H3,(H,24,27)
InChIKeyXVIXMACKTWWHMQ-UHFFFAOYSA-N
MW457.55 g/mol
LogP2.72
Rot. Bonds7

About 2-(2-methoxyethyl)-3-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1H-isoindole-4-carboxamide

2-(2-methoxyethyl)-3-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1H-isoindole-4-carboxamide (PubChem CID 3245754) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-3-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-3-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1H-isoindole-4-carboxamide
PubChem CID3245754
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC Name2-(2-methoxyethyl)-3-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2C1=O
InChIInChI=1S/C23H27N3O5S/c1-31-15-14-25-16-17-6-5-7-20(21(17)23(25)28)22(27)24-18-8-10-19(11-9-18)32(29,30)26-12-3-2-4-13-26/h5-11H,2-4,12-16H2,1H3,(H,24,27)
InChIKeyXVIXMACKTWWHMQ-UHFFFAOYSA-N
XLogP2.72
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyethylsulfanyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 3158240
2-(2-methoxyethyl)-N-(2-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
CID 3239814
N-(2,4-dichlorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 15991016
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3-dimethoxybenzamide
CID 51556740
2-(2-methoxyethylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2218483
2-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 55342317
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide
CID 1010223
2-propoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 4947884
2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1086858
2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1010360
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590945
2-methoxy-5-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 28591050

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-3-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1H-isoindole-4-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-3-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1H-isoindole-4-carboxamide (CID 3245754) is 2-(2-methoxyethyl)-3-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-3-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-3-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1H-isoindole-4-carboxamide is COCCN1Cc2cccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-3-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1H-isoindole-4-carboxamide?
The InChIKey is XVIXMACKTWWHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-31-15-14-25-16-17-6-5-7-20(21(17)23(25)28)22(27)24-18-8-10-19(11-9-18)32(29,30)26-12-3-2-4-13-26/h5-11H,2-4,12-16H2,1H3,(H,24,27).
What are the key properties of 2-(2-methoxyethyl)-3-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1H-isoindole-4-carboxamide?
2-(2-methoxyethyl)-3-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1H-isoindole-4-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-3-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1H-isoindole-4-carboxamide is sourced from PubChem (CID 3245754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).