5-(dimethylamino)-3-phenyl-1H-indole-2-carboxamide;5-ethylsulfonyl-3-phenyl-1H-indole-2-carboxamide;5-methylsulfonyl-3-phenyl-1H-indole-2-carboxamide;3-phenyl-5-(trifluoromethyl)-1H-indole-2-carboxamide

C66H58F3N9O8S2 — CID 161372465

IUPAC5-(dimethylamino)-3-phenyl-1H-indole-2-carboxamide;5-ethylsulfonyl-3-phenyl-1H-indole-2-carboxamide;5-methylsulfonyl-3-phenyl-1H-indole-2-carboxamide;3-phenyl-5-(trifluoromethyl)-1H-indole-2-carboxamide
SMILESCCS(=O)(=O)c1ccc2[nH]c(C(N)=O)c(-c3ccccc3)c2c1.CN(C)c1ccc2[nH]c(C(N)=O)c(-c3ccccc3)c2c1.CS(=O)(=O)c1ccc2[nH]c(C(N)=O)c(-c3ccccc3)c2c1.NC(=O)c1[nH]c2ccc(C(F)(F)F)cc2c1-c1ccccc1
InChIInChI=1S/C17H17N3O.C17H16N2O3S.C16H11F3N2O.C16H14N2O3S/c1-20(2)12-8-9-14-13(10-12)15(16(19-14)17(18)21)11-6-4-3-5-7-11;1-2-23(21,22)12-8-9-14-13(10-12)15(16(19-14)17(18)20)11-6-4-3-5-7-11;17-16(18,19)10-6-7-12-11(8-10)13(14(21-12)15(20)22)9-4-2-1-3-5-9;1-22(20,21)11-7-8-13-12(9-11)14(15(18-13)16(17)19)10-5-3-2-4-6-10/h3-10,19H,1-2H3,(H2,18,21);3-10,19H,2H2,1H3,(H2,18,20);1-8,21H,(H2,20,22);2-9,18H,1H3,(H2,17,19)
InChIKeyVQQHZTWSQURNMH-UHFFFAOYSA-N
MW1226.37 g/mol
LogP12.02
Rot. Bonds12

About 5-(dimethylamino)-3-phenyl-1H-indole-2-carboxamide;5-ethylsulfonyl-3-phenyl-1H-indole-2-carboxamide;5-methylsulfonyl-3-phenyl-1H-indole-2-carboxamide;3-phenyl-5-(trifluoromethyl)-1H-indole-2-carboxamide

5-(dimethylamino)-3-phenyl-1H-indole-2-carboxamide;5-ethylsulfonyl-3-phenyl-1H-indole-2-carboxamide;5-methylsulfonyl-3-phenyl-1H-indole-2-carboxamide;3-phenyl-5-(trifluoromethyl)-1H-indole-2-carboxamide (PubChem CID 161372465) has the molecular formula C66H58F3N9O8S2 and a molecular weight of 1226.37 g/mol. Its IUPAC name is 5-(dimethylamino)-3-phenyl-1H-indole-2-carboxamide;5-ethylsulfonyl-3-phenyl-1H-indole-2-carboxamide;5-methylsulfonyl-3-phenyl-1H-indole-2-carboxamide;3-phenyl-5-(trifluoromethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-(dimethylamino)-3-phenyl-1H-indole-2-carboxamide;5-ethylsulfonyl-3-phenyl-1H-indole-2-carboxamide;5-methylsulfonyl-3-phenyl-1H-indole-2-carboxamide;3-phenyl-5-(trifluoromethyl)-1H-indole-2-carboxamide
PubChem CID161372465
Molecular FormulaC66H58F3N9O8S2
Molecular Weight1226.37 g/mol
Exact Mass1225.38
IUPAC Name5-(dimethylamino)-3-phenyl-1H-indole-2-carboxamide;5-ethylsulfonyl-3-phenyl-1H-indole-2-carboxamide;5-methylsulfonyl-3-phenyl-1H-indole-2-carboxamide;3-phenyl-5-(trifluoromethyl)-1H-indole-2-carboxamide
SMILESCCS(=O)(=O)c1ccc2[nH]c(C(N)=O)c(-c3ccccc3)c2c1.CN(C)c1ccc2[nH]c(C(N)=O)c(-c3ccccc3)c2c1.CS(=O)(=O)c1ccc2[nH]c(C(N)=O)c(-c3ccccc3)c2c1.NC(=O)c1[nH]c2ccc(C(F)(F)F)cc2c1-c1ccccc1
InChIInChI=1S/C17H17N3O.C17H16N2O3S.C16H11F3N2O.C16H14N2O3S/c1-20(2)12-8-9-14-13(10-12)15(16(19-14)17(18)21)11-6-4-3-5-7-11;1-2-23(21,22)12-8-9-14-13(10-12)15(16(19-14)17(18)20)11-6-4-3-5-7-11;17-16(18,19)10-6-7-12-11(8-10)13(14(21-12)15(20)22)9-4-2-1-3-5-9;1-22(20,21)11-7-8-13-12(9-11)14(15(18-13)16(17)19)10-5-3-2-4-6-10/h3-10,19H,1-2H3,(H2,18,21);3-10,19H,2H2,1H3,(H2,18,20);1-8,21H,(H2,20,22);2-9,18H,1H3,(H2,17,19)
InChIKeyVQQHZTWSQURNMH-UHFFFAOYSA-N
XLogP12.02
TPSA307.04 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001226.37
LogP ≤ 512.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Analyze 5-(dimethylamino)-3-phenyl-1H-indole-2-carboxamide;5-ethylsulfonyl-3-phenyl-1H-indole-2-carboxamide;5-methylsulfonyl-3-phenyl-1H-indole-2-carboxamide;3-phenyl-5-(trifluoromethyl)-1H-indole-2-carboxamide with MolForge

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Related Compounds

Bis([4-[[[1-[(3-carbamimidoylphenyl)methyl]-5-methylsulfonylindole-2-carbonyl]amino]methyl]phenyl]-trimethylazanium);2,2,2-trifluoroacetate;acetate
CID 139902855
N-[4-[(3,5-difluorophenyl)sulfamoyl]phenyl]-5-[3-[[4-(1H-indole-2-carbonylamino)phenyl]sulfonylamino]phenyl]-1H-indole-2-carboxamide
CID 168200008
5-(dimethylamino)-3-phenyl-1H-indole-2-carboxylic acid;5-ethylsulfonyl-3-phenyl-1H-indole-2-carboxylic acid;5-methylsulfonyl-3-phenyl-1H-indole-2-carboxylic acid;3-phenyl-5-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 161098140
(2S)-1-[(2R)-3-(4-methylphenyl)sulfonyl-2-phenylpropanoyl]-N-[4-[5-[2-[(2S)-1-[(2R)-3-(4-methylphenyl)sulfonyl-2-phenylpropanoyl]pyrrolidin-2-yl]-2-oxoethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 149524039
bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-2-methyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;(3Z)-1,5-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)indol-2-one;(3Z)-5-methyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
CID 158108564
N-[(5-fluoro-1H-indol-2-yl)methyl]benzenesulfonamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 158767835
bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(3Z)-1,5-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)indol-2-one;(3Z)-5-methyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
CID 158908013
bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(3Z)-4-methyl-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 159575333
N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;bis(N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-2-methyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;(3Z)-1,5-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)indol-2-one;(3Z)-5-methyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
CID 160243706
bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-2-methyl-5-[(Z)-(5-methylsulfonyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
CID 162184114

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-3-phenyl-1H-indole-2-carboxamide;5-ethylsulfonyl-3-phenyl-1H-indole-2-carboxamide;5-methylsulfonyl-3-phenyl-1H-indole-2-carboxamide;3-phenyl-5-(trifluoromethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-(dimethylamino)-3-phenyl-1H-indole-2-carboxamide;5-ethylsulfonyl-3-phenyl-1H-indole-2-carboxamide;5-methylsulfonyl-3-phenyl-1H-indole-2-carboxamide;3-phenyl-5-(trifluoromethyl)-1H-indole-2-carboxamide (CID 161372465) is 5-(dimethylamino)-3-phenyl-1H-indole-2-carboxamide;5-ethylsulfonyl-3-phenyl-1H-indole-2-carboxamide;5-methylsulfonyl-3-phenyl-1H-indole-2-carboxamide;3-phenyl-5-(trifluoromethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-(dimethylamino)-3-phenyl-1H-indole-2-carboxamide;5-ethylsulfonyl-3-phenyl-1H-indole-2-carboxamide;5-methylsulfonyl-3-phenyl-1H-indole-2-carboxamide;3-phenyl-5-(trifluoromethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-(dimethylamino)-3-phenyl-1H-indole-2-carboxamide;5-ethylsulfonyl-3-phenyl-1H-indole-2-carboxamide;5-methylsulfonyl-3-phenyl-1H-indole-2-carboxamide;3-phenyl-5-(trifluoromethyl)-1H-indole-2-carboxamide is CCS(=O)(=O)c1ccc2[nH]c(C(N)=O)c(-c3ccccc3)c2c1.CN(C)c1ccc2[nH]c(C(N)=O)c(-c3ccccc3)c2c1.CS(=O)(=O)c1ccc2[nH]c(C(N)=O)c(-c3ccccc3)c2c1.NC(=O)c1[nH]c2ccc(C(F)(F)F)cc2c1-c1ccccc1.
What is the InChIKey of 5-(dimethylamino)-3-phenyl-1H-indole-2-carboxamide;5-ethylsulfonyl-3-phenyl-1H-indole-2-carboxamide;5-methylsulfonyl-3-phenyl-1H-indole-2-carboxamide;3-phenyl-5-(trifluoromethyl)-1H-indole-2-carboxamide?
The InChIKey is VQQHZTWSQURNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O.C17H16N2O3S.C16H11F3N2O.C16H14N2O3S/c1-20(2)12-8-9-14-13(10-12)15(16(19-14)17(18)21)11-6-4-3-5-7-11;1-2-23(21,22)12-8-9-14-13(10-12)15(16(19-14)17(18)20)11-6-4-3-5-7-11;17-16(18,19)10-6-7-12-11(8-10)13(14(21-12)15(20)22)9-4-2-1-3-5-9;1-22(20,21)11-7-8-13-12(9-11)14(15(18-13)16(17)19)10-5-3-2-4-6-10/h3-10,19H,1-2H3,(H2,18,21);3-10,19H,2H2,1H3,(H2,18,20);1-8,21H,(H2,20,22);2-9,18H,1H3,(H2,17,19).
What are the key properties of 5-(dimethylamino)-3-phenyl-1H-indole-2-carboxamide;5-ethylsulfonyl-3-phenyl-1H-indole-2-carboxamide;5-methylsulfonyl-3-phenyl-1H-indole-2-carboxamide;3-phenyl-5-(trifluoromethyl)-1H-indole-2-carboxamide?
5-(dimethylamino)-3-phenyl-1H-indole-2-carboxamide;5-ethylsulfonyl-3-phenyl-1H-indole-2-carboxamide;5-methylsulfonyl-3-phenyl-1H-indole-2-carboxamide;3-phenyl-5-(trifluoromethyl)-1H-indole-2-carboxamide has a molecular weight of 1226.37 g/mol, XLogP of 12.02, 12 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-3-phenyl-1H-indole-2-carboxamide;5-ethylsulfonyl-3-phenyl-1H-indole-2-carboxamide;5-methylsulfonyl-3-phenyl-1H-indole-2-carboxamide;3-phenyl-5-(trifluoromethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 161372465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).