7-[3-(2-ethenylsulfonylethyl)phenyl]-1,2-dimethyl-3H-indene-4-carboxamide

C22H23NO3S — CID 147501763

IUPAC7-[3-(2-ethenylsulfonylethyl)phenyl]-1,2-dimethyl-3H-indene-4-carboxamide
SMILESC=CS(=O)(=O)CCc1cccc(-c2ccc(C(N)=O)c3c2C(C)=C(C)C3)c1
InChIInChI=1S/C22H23NO3S/c1-4-27(25,26)11-10-16-6-5-7-17(13-16)18-8-9-19(22(23)24)20-12-14(2)15(3)21(18)20/h4-9,13H,1,10-12H2,2-3H3,(H2,23,24)
InChIKeyFHNYNOWCPLEDLC-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.90
Rot. Bonds6

About 7-[3-(2-ethenylsulfonylethyl)phenyl]-1,2-dimethyl-3H-indene-4-carboxamide

7-[3-(2-ethenylsulfonylethyl)phenyl]-1,2-dimethyl-3H-indene-4-carboxamide (PubChem CID 147501763) has the molecular formula C22H23NO3S and a molecular weight of 381.50 g/mol. Its IUPAC name is 7-[3-(2-ethenylsulfonylethyl)phenyl]-1,2-dimethyl-3H-indene-4-carboxamide.

Molecular Properties

Compound Name7-[3-(2-ethenylsulfonylethyl)phenyl]-1,2-dimethyl-3H-indene-4-carboxamide
PubChem CID147501763
Molecular FormulaC22H23NO3S
Molecular Weight381.50 g/mol
Exact Mass381.14
IUPAC Name7-[3-(2-ethenylsulfonylethyl)phenyl]-1,2-dimethyl-3H-indene-4-carboxamide
SMILESC=CS(=O)(=O)CCc1cccc(-c2ccc(C(N)=O)c3c2C(C)=C(C)C3)c1
InChIInChI=1S/C22H23NO3S/c1-4-27(25,26)11-10-16-6-5-7-17(13-16)18-8-9-19(22(23)24)20-12-14(2)15(3)21(18)20/h4-9,13H,1,10-12H2,2-3H3,(H2,23,24)
InChIKeyFHNYNOWCPLEDLC-UHFFFAOYSA-N
XLogP3.90
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(ethenylsulfonylamino)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 121293857
2-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide
CID 67802565
9H-fluorene-1,8-dicarboxamide
CID 21019291
1,2-dimethyl-7-[methyl-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]amino]-3H-indene-4-carboxamide
CID 147536973
2-(2-ethoxyethyl)-4-[3-(2-oxobut-3-enyl)phenyl]-1H-indole-7-carboxamide
CID 147575132
2-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 170503321
4-[3-[[(E)-but-2-enoyl]-methylamino]phenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide
CID 152804958
4-(3-aminophenyl)-2-(2-hydroxyethyl)-1H-indole-7-carboxamide;2-(2-hydroxyethyl)-4-[3-(2-oxobut-3-enyl)phenyl]-1H-indole-7-carboxamide
CID 159286254
3-[3-(2,5-dimethylphenyl)phenyl]propanoic acid
CID 82120152
1-[3-(5-chloro-2-methylphenyl)phenyl]but-3-en-2-one
CID 153192328
methyl 3-[3-(4-hydroxy-2-methylphenyl)phenyl]propanoate
CID 67528095
3-[3-(2-hydroxy-5-methylphenyl)phenyl]propanoic acid
CID 68870156

Frequently Asked Questions

What is the IUPAC name of 7-[3-(2-ethenylsulfonylethyl)phenyl]-1,2-dimethyl-3H-indene-4-carboxamide?
The IUPAC name of 7-[3-(2-ethenylsulfonylethyl)phenyl]-1,2-dimethyl-3H-indene-4-carboxamide (CID 147501763) is 7-[3-(2-ethenylsulfonylethyl)phenyl]-1,2-dimethyl-3H-indene-4-carboxamide.
What is the SMILES notation for 7-[3-(2-ethenylsulfonylethyl)phenyl]-1,2-dimethyl-3H-indene-4-carboxamide?
The canonical SMILES for 7-[3-(2-ethenylsulfonylethyl)phenyl]-1,2-dimethyl-3H-indene-4-carboxamide is C=CS(=O)(=O)CCc1cccc(-c2ccc(C(N)=O)c3c2C(C)=C(C)C3)c1.
What is the InChIKey of 7-[3-(2-ethenylsulfonylethyl)phenyl]-1,2-dimethyl-3H-indene-4-carboxamide?
The InChIKey is FHNYNOWCPLEDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3S/c1-4-27(25,26)11-10-16-6-5-7-17(13-16)18-8-9-19(22(23)24)20-12-14(2)15(3)21(18)20/h4-9,13H,1,10-12H2,2-3H3,(H2,23,24).
What are the key properties of 7-[3-(2-ethenylsulfonylethyl)phenyl]-1,2-dimethyl-3H-indene-4-carboxamide?
7-[3-(2-ethenylsulfonylethyl)phenyl]-1,2-dimethyl-3H-indene-4-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2-ethenylsulfonylethyl)phenyl]-1,2-dimethyl-3H-indene-4-carboxamide is sourced from PubChem (CID 147501763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).