3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N,N-bis(prop-2-enyl)benzamide

C22H24N2O3S — CID 4184146

IUPAC3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1cccc(S(=O)(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C22H24N2O3S/c1-4-13-23(14-5-2)22(25)19-10-8-11-20(16-19)28(26,27)24-17(3)15-18-9-6-7-12-21(18)24/h4-12,16-17H,1-2,13-15H2,3H3
InChIKeyDADRXQIQZVGSRF-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.64
Rot. Bonds7

About 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N,N-bis(prop-2-enyl)benzamide

3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N,N-bis(prop-2-enyl)benzamide (PubChem CID 4184146) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N,N-bis(prop-2-enyl)benzamide
PubChem CID4184146
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1cccc(S(=O)(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C22H24N2O3S/c1-4-13-23(14-5-2)22(25)19-10-8-11-20(16-19)28(26,27)24-17(3)15-18-9-6-7-12-21(18)24/h4-12,16-17H,1-2,13-15H2,3H3
InChIKeyDADRXQIQZVGSRF-UHFFFAOYSA-N
XLogP3.64
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N,N-bis(prop-2-enyl)benzamide?
The IUPAC name of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N,N-bis(prop-2-enyl)benzamide (CID 4184146) is 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N,N-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N,N-bis(prop-2-enyl)benzamide?
The canonical SMILES for 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1cccc(S(=O)(=O)N2c3ccccc3CC2C)c1.
What is the InChIKey of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N,N-bis(prop-2-enyl)benzamide?
The InChIKey is DADRXQIQZVGSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-4-13-23(14-5-2)22(25)19-10-8-11-20(16-19)28(26,27)24-17(3)15-18-9-6-7-12-21(18)24/h4-12,16-17H,1-2,13-15H2,3H3.
What are the key properties of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N,N-bis(prop-2-enyl)benzamide?
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 396.51 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 4184146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).