3-(morpholin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-1H-indole-4-carboxamide

C20H23N3O2S — CID 53137750

IUPAC3-(morpholin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-1H-indole-4-carboxamide
SMILESO=C(NCCc1cccs1)c1cccc2[nH]cc(CN3CCOCC3)c12
InChIInChI=1S/C20H23N3O2S/c24-20(21-7-6-16-3-2-12-26-16)17-4-1-5-18-19(17)15(13-22-18)14-23-8-10-25-11-9-23/h1-5,12-13,22H,6-11,14H2,(H,21,24)
InChIKeySNXIRUWPXHTINW-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.03
Rot. Bonds6

About 3-(morpholin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-1H-indole-4-carboxamide

3-(morpholin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-1H-indole-4-carboxamide (PubChem CID 53137750) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-1H-indole-4-carboxamide.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-1H-indole-4-carboxamide
PubChem CID53137750
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name3-(morpholin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-1H-indole-4-carboxamide
SMILESO=C(NCCc1cccs1)c1cccc2[nH]cc(CN3CCOCC3)c12
InChIInChI=1S/C20H23N3O2S/c24-20(21-7-6-16-3-2-12-26-16)17-4-1-5-18-19(17)15(13-22-18)14-23-8-10-25-11-9-23/h1-5,12-13,22H,6-11,14H2,(H,21,24)
InChIKeySNXIRUWPXHTINW-UHFFFAOYSA-N
XLogP3.03
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-1H-indole-4-carboxamide?
The IUPAC name of 3-(morpholin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-1H-indole-4-carboxamide (CID 53137750) is 3-(morpholin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-1H-indole-4-carboxamide.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-1H-indole-4-carboxamide?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-1H-indole-4-carboxamide is O=C(NCCc1cccs1)c1cccc2[nH]cc(CN3CCOCC3)c12.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-1H-indole-4-carboxamide?
The InChIKey is SNXIRUWPXHTINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c24-20(21-7-6-16-3-2-12-26-16)17-4-1-5-18-19(17)15(13-22-18)14-23-8-10-25-11-9-23/h1-5,12-13,22H,6-11,14H2,(H,21,24).
What are the key properties of 3-(morpholin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-1H-indole-4-carboxamide?
3-(morpholin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-1H-indole-4-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-1H-indole-4-carboxamide is sourced from PubChem (CID 53137750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).