3-[2-(1-ethylsulfinylpiperidin-4-yl)ethyl]-5-phenyl-1H-indole-7-carboxamide

C24H29N3O2S — CID 143079387

IUPAC3-[2-(1-ethylsulfinylpiperidin-4-yl)ethyl]-5-phenyl-1H-indole-7-carboxamide
SMILESCCS(=O)N1CCC(CCc2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C24H29N3O2S/c1-2-30(29)27-12-10-17(11-13-27)8-9-19-16-26-23-21(19)14-20(15-22(23)24(25)28)18-6-4-3-5-7-18/h3-7,14-17,26H,2,8-13H2,1H3,(H2,25,28)
InChIKeyXMAMSYUWECWNCX-UHFFFAOYSA-N
MW423.58 g/mol
LogP4.26
Rot. Bonds7

About 3-[2-(1-ethylsulfinylpiperidin-4-yl)ethyl]-5-phenyl-1H-indole-7-carboxamide

3-[2-(1-ethylsulfinylpiperidin-4-yl)ethyl]-5-phenyl-1H-indole-7-carboxamide (PubChem CID 143079387) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is 3-[2-(1-ethylsulfinylpiperidin-4-yl)ethyl]-5-phenyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-[2-(1-ethylsulfinylpiperidin-4-yl)ethyl]-5-phenyl-1H-indole-7-carboxamide
PubChem CID143079387
Molecular FormulaC24H29N3O2S
Molecular Weight423.58 g/mol
Exact Mass423.20
IUPAC Name3-[2-(1-ethylsulfinylpiperidin-4-yl)ethyl]-5-phenyl-1H-indole-7-carboxamide
SMILESCCS(=O)N1CCC(CCc2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C24H29N3O2S/c1-2-30(29)27-12-10-17(11-13-27)8-9-19-16-26-23-21(19)14-20(15-22(23)24(25)28)18-6-4-3-5-7-18/h3-7,14-17,26H,2,8-13H2,1H3,(H2,25,28)
InChIKeyXMAMSYUWECWNCX-UHFFFAOYSA-N
XLogP4.26
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(7-carbamoyl-5-phenyl-1H-indol-3-yl)methyl-trimethylazanium iodide
CID 86624137
3-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 11258625
3-[(4-ethylsulfonylcyclohexylidene)methyl]-5-phenyl-1H-indole-7-carboxamide
CID 11235547
3-(1-ethylsulfinylpiperidin-4-yl)-5-[3-fluoro-5-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenyl]-1H-indole-7-carboxamide
CID 71220970
3-[1-(2-ethoxyethyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 143205438
3-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 69144056
[4-(7-carbamoyl-5-phenyl-1H-indol-3-yl)anilino]methanesulfinate
CID 174507717
3-[1-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 69145423
3-[1-(6-methyl-4-propan-2-ylheptyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 143205422
3-[1-[3-(3-hydroxyphenoxy)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 68791641
5-(4-acetamidophenyl)-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 11202185
3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-7-carboxamide
CID 19786689

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-ethylsulfinylpiperidin-4-yl)ethyl]-5-phenyl-1H-indole-7-carboxamide?
The IUPAC name of 3-[2-(1-ethylsulfinylpiperidin-4-yl)ethyl]-5-phenyl-1H-indole-7-carboxamide (CID 143079387) is 3-[2-(1-ethylsulfinylpiperidin-4-yl)ethyl]-5-phenyl-1H-indole-7-carboxamide.
What is the SMILES notation for 3-[2-(1-ethylsulfinylpiperidin-4-yl)ethyl]-5-phenyl-1H-indole-7-carboxamide?
The canonical SMILES for 3-[2-(1-ethylsulfinylpiperidin-4-yl)ethyl]-5-phenyl-1H-indole-7-carboxamide is CCS(=O)N1CCC(CCc2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1.
What is the InChIKey of 3-[2-(1-ethylsulfinylpiperidin-4-yl)ethyl]-5-phenyl-1H-indole-7-carboxamide?
The InChIKey is XMAMSYUWECWNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S/c1-2-30(29)27-12-10-17(11-13-27)8-9-19-16-26-23-21(19)14-20(15-22(23)24(25)28)18-6-4-3-5-7-18/h3-7,14-17,26H,2,8-13H2,1H3,(H2,25,28).
What are the key properties of 3-[2-(1-ethylsulfinylpiperidin-4-yl)ethyl]-5-phenyl-1H-indole-7-carboxamide?
3-[2-(1-ethylsulfinylpiperidin-4-yl)ethyl]-5-phenyl-1H-indole-7-carboxamide has a molecular weight of 423.58 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-ethylsulfinylpiperidin-4-yl)ethyl]-5-phenyl-1H-indole-7-carboxamide is sourced from PubChem (CID 143079387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).