3-(1-ethylsulfonylpiperidin-4-yl)-5-[4-(3-methylbutyl)-2,3-dihydro-1-benzofuran-6-yl]-1H-indole-7-carboxamide

C29H37N3O4S — CID 58081076

IUPAC3-(1-ethylsulfonylpiperidin-4-yl)-5-[4-(3-methylbutyl)-2,3-dihydro-1-benzofuran-6-yl]-1H-indole-7-carboxamide
SMILESCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4cc(CCC(C)C)c5c(c4)OCC5)cc23)CC1
InChIInChI=1S/C29H37N3O4S/c1-4-37(34,35)32-10-7-19(8-11-32)26-17-31-28-24(26)14-22(15-25(28)29(30)33)21-13-20(6-5-18(2)3)23-9-12-36-27(23)16-21/h13-19,31H,4-12H2,1-3H3,(H2,30,33)
InChIKeyAJDAJEAWHWMQAU-UHFFFAOYSA-N
MW523.70 g/mol
LogP4.99
Rot. Bonds8

About 3-(1-ethylsulfonylpiperidin-4-yl)-5-[4-(3-methylbutyl)-2,3-dihydro-1-benzofuran-6-yl]-1H-indole-7-carboxamide

3-(1-ethylsulfonylpiperidin-4-yl)-5-[4-(3-methylbutyl)-2,3-dihydro-1-benzofuran-6-yl]-1H-indole-7-carboxamide (PubChem CID 58081076) has the molecular formula C29H37N3O4S and a molecular weight of 523.70 g/mol. Its IUPAC name is 3-(1-ethylsulfonylpiperidin-4-yl)-5-[4-(3-methylbutyl)-2,3-dihydro-1-benzofuran-6-yl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-(1-ethylsulfonylpiperidin-4-yl)-5-[4-(3-methylbutyl)-2,3-dihydro-1-benzofuran-6-yl]-1H-indole-7-carboxamide
PubChem CID58081076
Molecular FormulaC29H37N3O4S
Molecular Weight523.70 g/mol
Exact Mass523.25
IUPAC Name3-(1-ethylsulfonylpiperidin-4-yl)-5-[4-(3-methylbutyl)-2,3-dihydro-1-benzofuran-6-yl]-1H-indole-7-carboxamide
SMILESCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4cc(CCC(C)C)c5c(c4)OCC5)cc23)CC1
InChIInChI=1S/C29H37N3O4S/c1-4-37(34,35)32-10-7-19(8-11-32)26-17-31-28-24(26)14-22(15-25(28)29(30)33)21-13-20(6-5-18(2)3)23-9-12-36-27(23)16-21/h13-19,31H,4-12H2,1-3H3,(H2,30,33)
InChIKeyAJDAJEAWHWMQAU-UHFFFAOYSA-N
XLogP4.99
TPSA105.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.70
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1-ethylsulfonylpiperidin-4-yl)-5-[4-(3-methylbutyl)-2,3-dihydro-1-benzofuran-6-yl]-1H-indole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-acetamidophenyl)-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 11202185
5-[5-[(butan-2-ylamino)methyl]thiophen-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 42628905
3-[1-(6-methyl-4-propan-2-ylheptyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 143205422
3-(1-ethylsulfonylpiperidin-4-yl)-5-(4-fluoro-2-methylphenyl)-1H-indole-7-carboxamide
CID 11154979
5-[4-[(butanoylamino)methyl]phenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 66722998
5-[5-[(cyclopentylamino)methyl]thiophen-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 42629170
5-[3-[(3,3-dimethylbutan-2-ylamino)methyl]phenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 74830292
5-[3-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-5-fluorophenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 42630247
3-(1-ethylsulfonylpiperidin-4-yl)-5-[4-fluoro-3-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]phenyl]-1H-indole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 66723290
5-[3-(3-cyclopentyl-3-oxopropyl)phenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 58081088
[(2S)-2-[[5-[7-carbamoyl-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]-2-fluorophenyl]methylamino]propyl] 2,2,2-trifluoroacetate
CID 66723291
3-(1-ethylsulfonylpiperidin-4-yl)-5-[8-(2-methylpropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-1H-indole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 66723437

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylsulfonylpiperidin-4-yl)-5-[4-(3-methylbutyl)-2,3-dihydro-1-benzofuran-6-yl]-1H-indole-7-carboxamide?
The IUPAC name of 3-(1-ethylsulfonylpiperidin-4-yl)-5-[4-(3-methylbutyl)-2,3-dihydro-1-benzofuran-6-yl]-1H-indole-7-carboxamide (CID 58081076) is 3-(1-ethylsulfonylpiperidin-4-yl)-5-[4-(3-methylbutyl)-2,3-dihydro-1-benzofuran-6-yl]-1H-indole-7-carboxamide.
What is the SMILES notation for 3-(1-ethylsulfonylpiperidin-4-yl)-5-[4-(3-methylbutyl)-2,3-dihydro-1-benzofuran-6-yl]-1H-indole-7-carboxamide?
The canonical SMILES for 3-(1-ethylsulfonylpiperidin-4-yl)-5-[4-(3-methylbutyl)-2,3-dihydro-1-benzofuran-6-yl]-1H-indole-7-carboxamide is CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4cc(CCC(C)C)c5c(c4)OCC5)cc23)CC1.
What is the InChIKey of 3-(1-ethylsulfonylpiperidin-4-yl)-5-[4-(3-methylbutyl)-2,3-dihydro-1-benzofuran-6-yl]-1H-indole-7-carboxamide?
The InChIKey is AJDAJEAWHWMQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O4S/c1-4-37(34,35)32-10-7-19(8-11-32)26-17-31-28-24(26)14-22(15-25(28)29(30)33)21-13-20(6-5-18(2)3)23-9-12-36-27(23)16-21/h13-19,31H,4-12H2,1-3H3,(H2,30,33).
What are the key properties of 3-(1-ethylsulfonylpiperidin-4-yl)-5-[4-(3-methylbutyl)-2,3-dihydro-1-benzofuran-6-yl]-1H-indole-7-carboxamide?
3-(1-ethylsulfonylpiperidin-4-yl)-5-[4-(3-methylbutyl)-2,3-dihydro-1-benzofuran-6-yl]-1H-indole-7-carboxamide has a molecular weight of 523.70 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylsulfonylpiperidin-4-yl)-5-[4-(3-methylbutyl)-2,3-dihydro-1-benzofuran-6-yl]-1H-indole-7-carboxamide is sourced from PubChem (CID 58081076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).