2-(5-chloro-2-thiophen-2-yl-1H-indol-3-yl)-N,N-dipropylacetamide

C20H23ClN2OS — CID 10452075

IUPAC2-(5-chloro-2-thiophen-2-yl-1H-indol-3-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2cccs2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C20H23ClN2OS/c1-3-9-23(10-4-2)19(24)13-16-15-12-14(21)7-8-17(15)22-20(16)18-6-5-11-25-18/h5-8,11-12,22H,3-4,9-10,13H2,1-2H3
InChIKeyYXKLQDGMMPUOSE-UHFFFAOYSA-N
MW374.94 g/mol
LogP5.74
Rot. Bonds7

About 2-(5-chloro-2-thiophen-2-yl-1H-indol-3-yl)-N,N-dipropylacetamide

2-(5-chloro-2-thiophen-2-yl-1H-indol-3-yl)-N,N-dipropylacetamide (PubChem CID 10452075) has the molecular formula C20H23ClN2OS and a molecular weight of 374.94 g/mol. Its IUPAC name is 2-(5-chloro-2-thiophen-2-yl-1H-indol-3-yl)-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(5-chloro-2-thiophen-2-yl-1H-indol-3-yl)-N,N-dipropylacetamide
PubChem CID10452075
Molecular FormulaC20H23ClN2OS
Molecular Weight374.94 g/mol
Exact Mass374.12
IUPAC Name2-(5-chloro-2-thiophen-2-yl-1H-indol-3-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2cccs2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C20H23ClN2OS/c1-3-9-23(10-4-2)19(24)13-16-15-12-14(21)7-8-17(15)22-20(16)18-6-5-11-25-18/h5-8,11-12,22H,3-4,9-10,13H2,1-2H3
InChIKeyYXKLQDGMMPUOSE-UHFFFAOYSA-N
XLogP5.74
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.94
LogP ≤ 55.74
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 2-(5-chloro-2-thiophen-2-yl-1H-indol-3-yl)-N,N-dipropylacetamide?
The IUPAC name of 2-(5-chloro-2-thiophen-2-yl-1H-indol-3-yl)-N,N-dipropylacetamide (CID 10452075) is 2-(5-chloro-2-thiophen-2-yl-1H-indol-3-yl)-N,N-dipropylacetamide.
What is the SMILES notation for 2-(5-chloro-2-thiophen-2-yl-1H-indol-3-yl)-N,N-dipropylacetamide?
The canonical SMILES for 2-(5-chloro-2-thiophen-2-yl-1H-indol-3-yl)-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cc1c(-c2cccs2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-2-thiophen-2-yl-1H-indol-3-yl)-N,N-dipropylacetamide?
The InChIKey is YXKLQDGMMPUOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2OS/c1-3-9-23(10-4-2)19(24)13-16-15-12-14(21)7-8-17(15)22-20(16)18-6-5-11-25-18/h5-8,11-12,22H,3-4,9-10,13H2,1-2H3.
What are the key properties of 2-(5-chloro-2-thiophen-2-yl-1H-indol-3-yl)-N,N-dipropylacetamide?
2-(5-chloro-2-thiophen-2-yl-1H-indol-3-yl)-N,N-dipropylacetamide has a molecular weight of 374.94 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-thiophen-2-yl-1H-indol-3-yl)-N,N-dipropylacetamide is sourced from PubChem (CID 10452075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).