N-[2-(1H-indol-3-yl)ethyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide

C26H32N4O4S — CID 2109943

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C26H32N4O4S/c31-26(27-11-10-20-19-28-24-7-3-2-6-22(20)24)23-18-21(35(32,33)30-12-4-1-5-13-30)8-9-25(23)29-14-16-34-17-15-29/h2-3,6-9,18-19,28H,1,4-5,10-17H2,(H,27,31)
InChIKeyDISQTNOHCGWIBI-UHFFFAOYSA-N
MW496.63 g/mol
LogP3.15
Rot. Bonds7

About N-[2-(1H-indol-3-yl)ethyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide

N-[2-(1H-indol-3-yl)ethyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 2109943) has the molecular formula C26H32N4O4S and a molecular weight of 496.63 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
PubChem CID2109943
Molecular FormulaC26H32N4O4S
Molecular Weight496.63 g/mol
Exact Mass496.21
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C26H32N4O4S/c31-26(27-11-10-20-19-28-24-7-3-2-6-22(20)24)23-18-21(35(32,33)30-12-4-1-5-13-30)8-9-25(23)29-14-16-34-17-15-29/h2-3,6-9,18-19,28H,1,4-5,10-17H2,(H,27,31)
InChIKeyDISQTNOHCGWIBI-UHFFFAOYSA-N
XLogP3.15
TPSA94.74 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 ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide (CID 2109943) is N-[2-(1H-indol-3-yl)ethyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide is O=C(NCCc1c[nH]c2ccccc12)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is DISQTNOHCGWIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4S/c31-26(27-11-10-20-19-28-24-7-3-2-6-22(20)24)23-18-21(35(32,33)30-12-4-1-5-13-30)8-9-25(23)29-14-16-34-17-15-29/h2-3,6-9,18-19,28H,1,4-5,10-17H2,(H,27,31).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide?
N-[2-(1H-indol-3-yl)ethyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 496.63 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2109943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).