4-[3-[ethenylsulfonyl(methyl)amino]-2-methylphenyl]-2,3-dimethyl-1H-indole-7-carboxamide

C21H23N3O3S — CID 121293949

IUPAC4-[3-[ethenylsulfonyl(methyl)amino]-2-methylphenyl]-2,3-dimethyl-1H-indole-7-carboxamide
SMILESC=CS(=O)(=O)N(C)c1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1C
InChIInChI=1S/C21H23N3O3S/c1-6-28(26,27)24(5)18-9-7-8-15(13(18)3)16-10-11-17(21(22)25)20-19(16)12(2)14(4)23-20/h6-11,23H,1H2,2-5H3,(H2,22,25)
InChIKeyWYXHSOWVCAAKGC-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.77
Rot. Bonds5

About 4-[3-[ethenylsulfonyl(methyl)amino]-2-methylphenyl]-2,3-dimethyl-1H-indole-7-carboxamide

4-[3-[ethenylsulfonyl(methyl)amino]-2-methylphenyl]-2,3-dimethyl-1H-indole-7-carboxamide (PubChem CID 121293949) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 4-[3-[ethenylsulfonyl(methyl)amino]-2-methylphenyl]-2,3-dimethyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name4-[3-[ethenylsulfonyl(methyl)amino]-2-methylphenyl]-2,3-dimethyl-1H-indole-7-carboxamide
PubChem CID121293949
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name4-[3-[ethenylsulfonyl(methyl)amino]-2-methylphenyl]-2,3-dimethyl-1H-indole-7-carboxamide
SMILESC=CS(=O)(=O)N(C)c1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1C
InChIInChI=1S/C21H23N3O3S/c1-6-28(26,27)24(5)18-9-7-8-15(13(18)3)16-10-11-17(21(22)25)20-19(16)12(2)14(4)23-20/h6-11,23H,1H2,2-5H3,(H2,22,25)
InChIKeyWYXHSOWVCAAKGC-UHFFFAOYSA-N
XLogP3.77
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-Dimethyl-phenyl)-3-{2-[4-(4-methanesulfonylamino-phenyl)-butylamino]-ethyl}-1H-indole-5-carboxylic acid diethylamide
CID 18914272
2-(3,5-dimethylphenyl)-3-[2-[4-[4-(methanesulfonamido)phenyl]butylamino]ethyl]-N,N-di(propan-2-yl)-1H-indole-5-carboxamide
CID 44292977
2,3-Dimethyl-4-[3-[(1-oxo-2-propen-1-yl)amino]phenyl]-1H-indole-7-carboxamide
CID 121293751
2-methyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide
CID 121293832
2,3-dimethyl-4-(3-(vinylsulfonamido)phenyl)-1H-indole-7-carboxamide
CID 121293857
2,3-dimethyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide
CID 121293882
2,3-dimethyl-4-[2-methyl-3-[methyl(prop-2-enoyl)amino]phenyl]-1H-indole-7-carboxamide
CID 121293911
2,3-dimethyl-4-[3-[methyl(prop-2-enoyl)amino]phenyl]-1H-indole-7-carboxamide
CID 121293943
4-[3-[ethenylsulfonyl(methyl)amino]phenyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 121293963
4-[3-(ethenylsulfonylamino)-2-methylphenyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 121294143
4-[(3S)-3-(ethenylsulfonylamino)piperidin-1-yl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 121294198
US10266491, Example 13
CID 132231777

Frequently Asked Questions

What is the IUPAC name of 4-[3-[ethenylsulfonyl(methyl)amino]-2-methylphenyl]-2,3-dimethyl-1H-indole-7-carboxamide?
The IUPAC name of 4-[3-[ethenylsulfonyl(methyl)amino]-2-methylphenyl]-2,3-dimethyl-1H-indole-7-carboxamide (CID 121293949) is 4-[3-[ethenylsulfonyl(methyl)amino]-2-methylphenyl]-2,3-dimethyl-1H-indole-7-carboxamide.
What is the SMILES notation for 4-[3-[ethenylsulfonyl(methyl)amino]-2-methylphenyl]-2,3-dimethyl-1H-indole-7-carboxamide?
The canonical SMILES for 4-[3-[ethenylsulfonyl(methyl)amino]-2-methylphenyl]-2,3-dimethyl-1H-indole-7-carboxamide is C=CS(=O)(=O)N(C)c1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1C.
What is the InChIKey of 4-[3-[ethenylsulfonyl(methyl)amino]-2-methylphenyl]-2,3-dimethyl-1H-indole-7-carboxamide?
The InChIKey is WYXHSOWVCAAKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-6-28(26,27)24(5)18-9-7-8-15(13(18)3)16-10-11-17(21(22)25)20-19(16)12(2)14(4)23-20/h6-11,23H,1H2,2-5H3,(H2,22,25).
What are the key properties of 4-[3-[ethenylsulfonyl(methyl)amino]-2-methylphenyl]-2,3-dimethyl-1H-indole-7-carboxamide?
4-[3-[ethenylsulfonyl(methyl)amino]-2-methylphenyl]-2,3-dimethyl-1H-indole-7-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[ethenylsulfonyl(methyl)amino]-2-methylphenyl]-2,3-dimethyl-1H-indole-7-carboxamide is sourced from PubChem (CID 121293949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).