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

C22H26N4O3S — CID 11611619

IUPAC3-[1-(2-aminoethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
SMILESNCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C22H26N4O3S/c23-8-11-30(28,29)26-9-6-16(7-10-26)20-14-25-21-18(20)12-17(13-19(21)22(24)27)15-4-2-1-3-5-15/h1-5,12-14,16,25H,6-11,23H2,(H2,24,27)
InChIKeyAWEOCCDQVPBWPZ-UHFFFAOYSA-N
MW426.54 g/mol
LogP2.40
Rot. Bonds6

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

3-[1-(2-aminoethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide (PubChem CID 11611619) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 3-[1-(2-aminoethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-[1-(2-aminoethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
PubChem CID11611619
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name3-[1-(2-aminoethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
SMILESNCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C22H26N4O3S/c23-8-11-30(28,29)26-9-6-16(7-10-26)20-14-25-21-18(20)12-17(13-19(21)22(24)27)15-4-2-1-3-5-15/h1-5,12-14,16,25H,6-11,23H2,(H2,24,27)
InChIKeyAWEOCCDQVPBWPZ-UHFFFAOYSA-N
XLogP2.40
TPSA122.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-aminoethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The IUPAC name of 3-[1-(2-aminoethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide (CID 11611619) is 3-[1-(2-aminoethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide.
What is the SMILES notation for 3-[1-(2-aminoethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The canonical SMILES for 3-[1-(2-aminoethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide is NCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1.
What is the InChIKey of 3-[1-(2-aminoethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The InChIKey is AWEOCCDQVPBWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c23-8-11-30(28,29)26-9-6-16(7-10-26)20-14-25-21-18(20)12-17(13-19(21)22(24)27)15-4-2-1-3-5-15/h1-5,12-14,16,25H,6-11,23H2,(H2,24,27).
What are the key properties of 3-[1-(2-aminoethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
3-[1-(2-aminoethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-aminoethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide is sourced from PubChem (CID 11611619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).