4-(1-ethenylsulfonyl-2,3-dihydroindol-6-yl)-2,3-dimethyl-1H-indole-7-carboxamide

C21H21N3O3S — CID 121294105

IUPAC4-(1-ethenylsulfonyl-2,3-dihydroindol-6-yl)-2,3-dimethyl-1H-indole-7-carboxamide
SMILESC=CS(=O)(=O)N1CCc2ccc(-c3ccc(C(N)=O)c4[nH]c(C)c(C)c34)cc21
InChIInChI=1S/C21H21N3O3S/c1-4-28(26,27)24-10-9-14-5-6-15(11-18(14)24)16-7-8-17(21(22)25)20-19(16)12(2)13(3)23-20/h4-8,11,23H,1,9-10H2,2-3H3,(H2,22,25)
InChIKeyBEPYSFWFYYBLBI-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.39
Rot. Bonds4

About 4-(1-ethenylsulfonyl-2,3-dihydroindol-6-yl)-2,3-dimethyl-1H-indole-7-carboxamide

4-(1-ethenylsulfonyl-2,3-dihydroindol-6-yl)-2,3-dimethyl-1H-indole-7-carboxamide (PubChem CID 121294105) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 4-(1-ethenylsulfonyl-2,3-dihydroindol-6-yl)-2,3-dimethyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name4-(1-ethenylsulfonyl-2,3-dihydroindol-6-yl)-2,3-dimethyl-1H-indole-7-carboxamide
PubChem CID121294105
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name4-(1-ethenylsulfonyl-2,3-dihydroindol-6-yl)-2,3-dimethyl-1H-indole-7-carboxamide
SMILESC=CS(=O)(=O)N1CCc2ccc(-c3ccc(C(N)=O)c4[nH]c(C)c(C)c34)cc21
InChIInChI=1S/C21H21N3O3S/c1-4-28(26,27)24-10-9-14-5-6-15(11-18(14)24)16-7-8-17(21(22)25)20-19(16)12(2)13(3)23-20/h4-8,11,23H,1,9-10H2,2-3H3,(H2,22,25)
InChIKeyBEPYSFWFYYBLBI-UHFFFAOYSA-N
XLogP3.39
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(ethenylsulfonylamino)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 121293857
1-ethenylsulfonyl-6-methyl-2,3-dihydroindole
CID 143511464
1-ethenylsulfonyl-6-iodo-2,3-dihydroindole
CID 143184500
2,3-dimethyl-4-(1-prop-2-enoylpyrrolidin-3-yl)-1H-indole-7-carboxamide
CID 121293914
2,3-dimethyl-4-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]amino]-1H-indole-7-carboxamide
CID 121294112
2,3-dimethyl-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-indole-7-carboxamide
CID 121293848
2,3-dimethyl-4-[3-(prop-2-ynoylamino)piperidin-1-yl]-1H-indole-7-carboxamide
CID 121294025
2,3-dimethyl-4-[3-(prop-2-ynoylamino)pyrrolidin-1-yl]-1H-indole-7-carboxamide
CID 121294036
5-fluoro-2,3-dimethyl-4-(4-prop-2-enoyl-2,3-dihydro-1,4-benzothiazin-8-yl)-1H-indole-7-carboxamide
CID 121294063
1-methylsulfonyl-2,3-dihydroindole-6-carboxamide;2,2,2-trifluoroacetic acid
CID 162309885
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylbenzamide
CID 2174045
4-[3-[but-2-ynoyl(methyl)amino]piperidin-1-yl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 121293852

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethenylsulfonyl-2,3-dihydroindol-6-yl)-2,3-dimethyl-1H-indole-7-carboxamide?
The IUPAC name of 4-(1-ethenylsulfonyl-2,3-dihydroindol-6-yl)-2,3-dimethyl-1H-indole-7-carboxamide (CID 121294105) is 4-(1-ethenylsulfonyl-2,3-dihydroindol-6-yl)-2,3-dimethyl-1H-indole-7-carboxamide.
What is the SMILES notation for 4-(1-ethenylsulfonyl-2,3-dihydroindol-6-yl)-2,3-dimethyl-1H-indole-7-carboxamide?
The canonical SMILES for 4-(1-ethenylsulfonyl-2,3-dihydroindol-6-yl)-2,3-dimethyl-1H-indole-7-carboxamide is C=CS(=O)(=O)N1CCc2ccc(-c3ccc(C(N)=O)c4[nH]c(C)c(C)c34)cc21.
What is the InChIKey of 4-(1-ethenylsulfonyl-2,3-dihydroindol-6-yl)-2,3-dimethyl-1H-indole-7-carboxamide?
The InChIKey is BEPYSFWFYYBLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-4-28(26,27)24-10-9-14-5-6-15(11-18(14)24)16-7-8-17(21(22)25)20-19(16)12(2)13(3)23-20/h4-8,11,23H,1,9-10H2,2-3H3,(H2,22,25).
What are the key properties of 4-(1-ethenylsulfonyl-2,3-dihydroindol-6-yl)-2,3-dimethyl-1H-indole-7-carboxamide?
4-(1-ethenylsulfonyl-2,3-dihydroindol-6-yl)-2,3-dimethyl-1H-indole-7-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethenylsulfonyl-2,3-dihydroindol-6-yl)-2,3-dimethyl-1H-indole-7-carboxamide is sourced from PubChem (CID 121294105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).