5-methyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide

C20H23N3OS — CID 39988576

IUPAC5-methyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NC[C@@H](c3cccs3)N3CCCC3)cc2c1
InChIInChI=1S/C20H23N3OS/c1-14-6-7-16-15(11-14)12-17(22-16)20(24)21-13-18(19-5-4-10-25-19)23-8-2-3-9-23/h4-7,10-12,18,22H,2-3,8-9,13H2,1H3,(H,21,24)/t18-/m0/s1
InChIKeySQDUCOXAOMYZQA-SFHVURJKSA-N
MW353.49 g/mol
LogP4.10
Rot. Bonds5

About 5-methyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide

5-methyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide (PubChem CID 39988576) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 5-methyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
PubChem CID39988576
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name5-methyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NC[C@@H](c3cccs3)N3CCCC3)cc2c1
InChIInChI=1S/C20H23N3OS/c1-14-6-7-16-15(11-14)12-17(22-16)20(24)21-13-18(19-5-4-10-25-19)23-8-2-3-9-23/h4-7,10-12,18,22H,2-3,8-9,13H2,1H3,(H,21,24)/t18-/m0/s1
InChIKeySQDUCOXAOMYZQA-SFHVURJKSA-N
XLogP4.10
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-methyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide (CID 39988576) is 5-methyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)NC[C@@H](c3cccs3)N3CCCC3)cc2c1.
What is the InChIKey of 5-methyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide?
The InChIKey is SQDUCOXAOMYZQA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-14-6-7-16-15(11-14)12-17(22-16)20(24)21-13-18(19-5-4-10-25-19)23-8-2-3-9-23/h4-7,10-12,18,22H,2-3,8-9,13H2,1H3,(H,21,24)/t18-/m0/s1.
What are the key properties of 5-methyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide?
5-methyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 39988576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).