N,N-dipropyl-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide

C20H24N2OS — CID 10382646

IUPACN,N-dipropyl-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2cccs2)[nH]c2ccccc12
InChIInChI=1S/C20H24N2OS/c1-3-11-22(12-4-2)19(23)14-16-15-8-5-6-9-17(15)21-20(16)18-10-7-13-24-18/h5-10,13,21H,3-4,11-12,14H2,1-2H3
InChIKeyKVWYMXMHIPUYMW-UHFFFAOYSA-N
MW340.49 g/mol
LogP5.09
Rot. Bonds7

About N,N-dipropyl-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide

N,N-dipropyl-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide (PubChem CID 10382646) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is N,N-dipropyl-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN,N-dipropyl-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide
PubChem CID10382646
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC NameN,N-dipropyl-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2cccs2)[nH]c2ccccc12
InChIInChI=1S/C20H24N2OS/c1-3-11-22(12-4-2)19(23)14-16-15-8-5-6-9-17(15)21-20(16)18-10-7-13-24-18/h5-10,13,21H,3-4,11-12,14H2,1-2H3
InChIKeyKVWYMXMHIPUYMW-UHFFFAOYSA-N
XLogP5.09
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.49
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide?
The IUPAC name of N,N-dipropyl-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide (CID 10382646) is N,N-dipropyl-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N,N-dipropyl-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide?
The canonical SMILES for N,N-dipropyl-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide is CCCN(CCC)C(=O)Cc1c(-c2cccs2)[nH]c2ccccc12.
What is the InChIKey of N,N-dipropyl-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide?
The InChIKey is KVWYMXMHIPUYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-3-11-22(12-4-2)19(23)14-16-15-8-5-6-9-17(15)21-20(16)18-10-7-13-24-18/h5-10,13,21H,3-4,11-12,14H2,1-2H3.
What are the key properties of N,N-dipropyl-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide?
N,N-dipropyl-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide has a molecular weight of 340.49 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-2-(2-thiophen-2-yl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 10382646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).