3-(4-dimethylsulfinamoylphenyl)-N,7-di(propan-2-yl)-1H-indole-2-carboxamide

C23H29N3O2S — CID 129208619

IUPAC3-(4-dimethylsulfinamoylphenyl)-N,7-di(propan-2-yl)-1H-indole-2-carboxamide
SMILESCC(C)NC(=O)c1[nH]c2c(C(C)C)cccc2c1-c1ccc(S(=O)N(C)C)cc1
InChIInChI=1S/C23H29N3O2S/c1-14(2)18-8-7-9-19-20(22(25-21(18)19)23(27)24-15(3)4)16-10-12-17(13-11-16)29(28)26(5)6/h7-15,25H,1-6H3,(H,24,27)
InChIKeyDXXJIXODCLPYAZ-UHFFFAOYSA-N
MW411.57 g/mol
LogP4.68
Rot. Bonds6

About 3-(4-dimethylsulfinamoylphenyl)-N,7-di(propan-2-yl)-1H-indole-2-carboxamide

3-(4-dimethylsulfinamoylphenyl)-N,7-di(propan-2-yl)-1H-indole-2-carboxamide (PubChem CID 129208619) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is 3-(4-dimethylsulfinamoylphenyl)-N,7-di(propan-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-(4-dimethylsulfinamoylphenyl)-N,7-di(propan-2-yl)-1H-indole-2-carboxamide
PubChem CID129208619
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC Name3-(4-dimethylsulfinamoylphenyl)-N,7-di(propan-2-yl)-1H-indole-2-carboxamide
SMILESCC(C)NC(=O)c1[nH]c2c(C(C)C)cccc2c1-c1ccc(S(=O)N(C)C)cc1
InChIInChI=1S/C23H29N3O2S/c1-14(2)18-8-7-9-19-20(22(25-21(18)19)23(27)24-15(3)4)16-10-12-17(13-11-16)29(28)26(5)6/h7-15,25H,1-6H3,(H,24,27)
InChIKeyDXXJIXODCLPYAZ-UHFFFAOYSA-N
XLogP4.68
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-7-propan-2-yl-1H-indole-2-carboxylic acid
CID 129187441
ethyl 3-[4-(dimethylsulfamoyl)phenyl]-7-propan-2-yl-1H-indole-2-carboxylate
CID 129187457
3-[4-(1-amino-1-sulfinooxyethyl)phenyl]-7-propan-2-yl-1H-indole-2-carboxylic acid
CID 174918377
1,8-di(propan-2-yl)-9H-carbazole
CID 174295528
3-(5-methylthiophen-2-yl)-7-propan-2-yl-1H-indole-2-carboxylic acid
CID 129187506
2-methyl-1-(2-methyl-7-propan-2-yl-1H-indol-3-yl)propan-1-one
CID 82279196
N,2-di(propan-2-yl)benzamide
CID 14972595
2-[7-propan-2-yl-2-(4-propan-2-ylphenyl)-1H-indol-3-yl]acetic acid
CID 3264642
methyl 7-chloro-3-phenyl-1H-indole-2-carboxylate
CID 166475893
7-(1-acetamidoethyl)-3-[3-fluoro-4-(methylsulfanylmethyl)phenyl]-1H-indole-2-carboxylic acid
CID 166140216
[4-[2-[3-(4-fluorophenyl)-7-methyl-1H-indole-2-carbonyl]hydrazinyl]phenyl]methanesulfinic acid
CID 174918390
(3-acetyl-2-oxo-8-propan-2-yl-1H-quinolin-4-yl) methyl sulfate
CID 19926894

Frequently Asked Questions

What is the IUPAC name of 3-(4-dimethylsulfinamoylphenyl)-N,7-di(propan-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of 3-(4-dimethylsulfinamoylphenyl)-N,7-di(propan-2-yl)-1H-indole-2-carboxamide (CID 129208619) is 3-(4-dimethylsulfinamoylphenyl)-N,7-di(propan-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 3-(4-dimethylsulfinamoylphenyl)-N,7-di(propan-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 3-(4-dimethylsulfinamoylphenyl)-N,7-di(propan-2-yl)-1H-indole-2-carboxamide is CC(C)NC(=O)c1[nH]c2c(C(C)C)cccc2c1-c1ccc(S(=O)N(C)C)cc1.
What is the InChIKey of 3-(4-dimethylsulfinamoylphenyl)-N,7-di(propan-2-yl)-1H-indole-2-carboxamide?
The InChIKey is DXXJIXODCLPYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-14(2)18-8-7-9-19-20(22(25-21(18)19)23(27)24-15(3)4)16-10-12-17(13-11-16)29(28)26(5)6/h7-15,25H,1-6H3,(H,24,27).
What are the key properties of 3-(4-dimethylsulfinamoylphenyl)-N,7-di(propan-2-yl)-1H-indole-2-carboxamide?
3-(4-dimethylsulfinamoylphenyl)-N,7-di(propan-2-yl)-1H-indole-2-carboxamide has a molecular weight of 411.57 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dimethylsulfinamoylphenyl)-N,7-di(propan-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 129208619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).