5-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]-1H-indole-2,3-dione

C15H13ClN2O2S — CID 79342532

IUPAC5-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]-1H-indole-2,3-dione
SMILESCCN(Cc1cccs1)c1cc2c(cc1Cl)C(=O)C(=O)N2
InChIInChI=1S/C15H13ClN2O2S/c1-2-18(8-9-4-3-5-21-9)13-7-12-10(6-11(13)16)14(19)15(20)17-12/h3-7H,2,8H2,1H3,(H,17,19,20)
InChIKeyBLURACIJEGIECA-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.56
Rot. Bonds4

About 5-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]-1H-indole-2,3-dione

5-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]-1H-indole-2,3-dione (PubChem CID 79342532) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is 5-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]-1H-indole-2,3-dione
PubChem CID79342532
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name5-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]-1H-indole-2,3-dione
SMILESCCN(Cc1cccs1)c1cc2c(cc1Cl)C(=O)C(=O)N2
InChIInChI=1S/C15H13ClN2O2S/c1-2-18(8-9-4-3-5-21-9)13-7-12-10(6-11(13)16)14(19)15(20)17-12/h3-7H,2,8H2,1H3,(H,17,19,20)
InChIKeyBLURACIJEGIECA-UHFFFAOYSA-N
XLogP3.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-chloro-6-(dipropylamino)-1H-indole-2,3-dione
CID 79336156
4-(bromomethyl)-2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 107081319
2-chloro-4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 81152269
3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzoic acid
CID 55181040
2-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]benzaldehyde
CID 61436638
2-(bromomethyl)-3-chloro-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 107081314
3-chloro-2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61436708
3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
CID 63087220
5-chloro-6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione
CID 79342515
2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61437146
5-chloro-6-[methyl(2-methylsulfanylethyl)amino]-1H-indole-2,3-dione
CID 112660421
4-[ethyl(thiophen-2-ylmethyl)amino]-3-nitrobenzaldehyde
CID 60658726

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]-1H-indole-2,3-dione?
The IUPAC name of 5-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]-1H-indole-2,3-dione (CID 79342532) is 5-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]-1H-indole-2,3-dione.
What is the SMILES notation for 5-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]-1H-indole-2,3-dione?
The canonical SMILES for 5-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]-1H-indole-2,3-dione is CCN(Cc1cccs1)c1cc2c(cc1Cl)C(=O)C(=O)N2.
What is the InChIKey of 5-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]-1H-indole-2,3-dione?
The InChIKey is BLURACIJEGIECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-2-18(8-9-4-3-5-21-9)13-7-12-10(6-11(13)16)14(19)15(20)17-12/h3-7H,2,8H2,1H3,(H,17,19,20).
What are the key properties of 5-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]-1H-indole-2,3-dione?
5-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]-1H-indole-2,3-dione has a molecular weight of 320.80 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]-1H-indole-2,3-dione is sourced from PubChem (CID 79342532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).