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

C26H32N4O4S — CID 11641780

IUPAC3-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)CCN4CCOCC4)CC3)c[nH]c12
InChIInChI=1S/C26H32N4O4S/c27-26(31)23-17-21(19-4-2-1-3-5-19)16-22-24(18-28-25(22)23)20-6-8-30(9-7-20)35(32,33)15-12-29-10-13-34-14-11-29/h1-5,16-18,20,28H,6-15H2,(H2,27,31)
InChIKeyIBHBSLBQSHEYEW-UHFFFAOYSA-N
MW496.63 g/mol
LogP2.78
Rot. Bonds7

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

3-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide (PubChem CID 11641780) has the molecular formula C26H32N4O4S and a molecular weight of 496.63 g/mol. Its IUPAC name is 3-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
PubChem CID11641780
Molecular FormulaC26H32N4O4S
Molecular Weight496.63 g/mol
Exact Mass496.21
IUPAC Name3-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)CCN4CCOCC4)CC3)c[nH]c12
InChIInChI=1S/C26H32N4O4S/c27-26(31)23-17-21(19-4-2-1-3-5-19)16-22-24(18-28-25(22)23)20-6-8-30(9-7-20)35(32,33)15-12-29-10-13-34-14-11-29/h1-5,16-18,20,28H,6-15H2,(H2,27,31)
InChIKeyIBHBSLBQSHEYEW-UHFFFAOYSA-N
XLogP2.78
TPSA108.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The IUPAC name of 3-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide (CID 11641780) is 3-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide.
What is the SMILES notation for 3-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The canonical SMILES for 3-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide is NC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)CCN4CCOCC4)CC3)c[nH]c12.
What is the InChIKey of 3-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The InChIKey is IBHBSLBQSHEYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4S/c27-26(31)23-17-21(19-4-2-1-3-5-19)16-22-24(18-28-25(22)23)20-6-8-30(9-7-20)35(32,33)15-12-29-10-13-34-14-11-29/h1-5,16-18,20,28H,6-15H2,(H2,27,31).
What are the key properties of 3-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
3-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide has a molecular weight of 496.63 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-morpholin-4-ylethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide is sourced from PubChem (CID 11641780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).