5-(4-acetamidophenyl)-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide

C24H28N4O4S — CID 11202185

IUPAC5-(4-acetamidophenyl)-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
SMILESCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccc(NC(C)=O)cc4)cc23)CC1
InChIInChI=1S/C24H28N4O4S/c1-3-33(31,32)28-10-8-17(9-11-28)22-14-26-23-20(22)12-18(13-21(23)24(25)30)16-4-6-19(7-5-16)27-15(2)29/h4-7,12-14,17,26H,3,8-11H2,1-2H3,(H2,25,30)(H,27,29)
InChIKeyVJGQGQQMSIQTEN-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.42
Rot. Bonds6

About 5-(4-acetamidophenyl)-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide

5-(4-acetamidophenyl)-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide (PubChem CID 11202185) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 5-(4-acetamidophenyl)-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidophenyl)-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
PubChem CID11202185
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name5-(4-acetamidophenyl)-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
SMILESCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccc(NC(C)=O)cc4)cc23)CC1
InChIInChI=1S/C24H28N4O4S/c1-3-33(31,32)28-10-8-17(9-11-28)22-14-26-23-20(22)12-18(13-21(23)24(25)30)16-4-6-19(7-5-16)27-15(2)29/h4-7,12-14,17,26H,3,8-11H2,1-2H3,(H2,25,30)(H,27,29)
InChIKeyVJGQGQQMSIQTEN-UHFFFAOYSA-N
XLogP3.42
TPSA125.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[(butanoylamino)methyl]phenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 66722998
3-(1-ethylsulfonylpiperidin-4-yl)-5-(4-fluoro-2-methylphenyl)-1H-indole-7-carboxamide
CID 11154979
3-(1-ethylsulfonylpiperidin-4-yl)-5-[4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenyl]-1H-indole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 66722744
5-(3-acetamidophenyl)-3-(1-ethylsulfanylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 143079406
5-[5-[(butan-2-ylamino)methyl]thiophen-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 42628905
5-[5-[(cyclopentylamino)methyl]thiophen-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 42629170
3-[1-(2-ethoxyethyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 143205438
5-[3-(3-cyclopentyl-3-oxopropyl)phenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 58081088
3-(1-ethylsulfonylpiperidin-4-yl)-5-[3-[(octanoylamino)methyl]phenyl]-1H-indole-7-carboxamide
CID 66722824
[(2S)-2-[[5-[7-carbamoyl-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]-2-fluorophenyl]methylamino]propyl] 2,2,2-trifluoroacetate
CID 66723291
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidophenyl)-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide?
The IUPAC name of 5-(4-acetamidophenyl)-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide (CID 11202185) is 5-(4-acetamidophenyl)-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide.
What is the SMILES notation for 5-(4-acetamidophenyl)-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide?
The canonical SMILES for 5-(4-acetamidophenyl)-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide is CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccc(NC(C)=O)cc4)cc23)CC1.
What is the InChIKey of 5-(4-acetamidophenyl)-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide?
The InChIKey is VJGQGQQMSIQTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-3-33(31,32)28-10-8-17(9-11-28)22-14-26-23-20(22)12-18(13-21(23)24(25)30)16-4-6-19(7-5-16)27-15(2)29/h4-7,12-14,17,26H,3,8-11H2,1-2H3,(H2,25,30)(H,27,29).
What are the key properties of 5-(4-acetamidophenyl)-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide?
5-(4-acetamidophenyl)-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidophenyl)-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide is sourced from PubChem (CID 11202185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).