5-chloro-2-ethoxy-2-hydroxy-1-(thiophene-2-carbonyl)-3H-indole-3-carboxamide

C16H15ClN2O4S — CID 11793306

IUPAC5-chloro-2-ethoxy-2-hydroxy-1-(thiophene-2-carbonyl)-3H-indole-3-carboxamide
SMILESCCOC1(O)C(C(N)=O)c2cc(Cl)ccc2N1C(=O)c1cccs1
InChIInChI=1S/C16H15ClN2O4S/c1-2-23-16(22)13(14(18)20)10-8-9(17)5-6-11(10)19(16)15(21)12-4-3-7-24-12/h3-8,13,22H,2H2,1H3,(H2,18,20)
InChIKeyCDYCIRLHKVXTBP-UHFFFAOYSA-N
MW366.83 g/mol
LogP2.31
Rot. Bonds4

About 5-chloro-2-ethoxy-2-hydroxy-1-(thiophene-2-carbonyl)-3H-indole-3-carboxamide

5-chloro-2-ethoxy-2-hydroxy-1-(thiophene-2-carbonyl)-3H-indole-3-carboxamide (PubChem CID 11793306) has the molecular formula C16H15ClN2O4S and a molecular weight of 366.83 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-2-hydroxy-1-(thiophene-2-carbonyl)-3H-indole-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-ethoxy-2-hydroxy-1-(thiophene-2-carbonyl)-3H-indole-3-carboxamide
PubChem CID11793306
Molecular FormulaC16H15ClN2O4S
Molecular Weight366.83 g/mol
Exact Mass366.04
IUPAC Name5-chloro-2-ethoxy-2-hydroxy-1-(thiophene-2-carbonyl)-3H-indole-3-carboxamide
SMILESCCOC1(O)C(C(N)=O)c2cc(Cl)ccc2N1C(=O)c1cccs1
InChIInChI=1S/C16H15ClN2O4S/c1-2-23-16(22)13(14(18)20)10-8-9(17)5-6-11(10)19(16)15(21)12-4-3-7-24-12/h3-8,13,22H,2H2,1H3,(H2,18,20)
InChIKeyCDYCIRLHKVXTBP-UHFFFAOYSA-N
XLogP2.31
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxy-2-hydroxy-1-(thiophene-2-carbonyl)-3H-indole-3-carboxamide?
The IUPAC name of 5-chloro-2-ethoxy-2-hydroxy-1-(thiophene-2-carbonyl)-3H-indole-3-carboxamide (CID 11793306) is 5-chloro-2-ethoxy-2-hydroxy-1-(thiophene-2-carbonyl)-3H-indole-3-carboxamide.
What is the SMILES notation for 5-chloro-2-ethoxy-2-hydroxy-1-(thiophene-2-carbonyl)-3H-indole-3-carboxamide?
The canonical SMILES for 5-chloro-2-ethoxy-2-hydroxy-1-(thiophene-2-carbonyl)-3H-indole-3-carboxamide is CCOC1(O)C(C(N)=O)c2cc(Cl)ccc2N1C(=O)c1cccs1.
What is the InChIKey of 5-chloro-2-ethoxy-2-hydroxy-1-(thiophene-2-carbonyl)-3H-indole-3-carboxamide?
The InChIKey is CDYCIRLHKVXTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4S/c1-2-23-16(22)13(14(18)20)10-8-9(17)5-6-11(10)19(16)15(21)12-4-3-7-24-12/h3-8,13,22H,2H2,1H3,(H2,18,20).
What are the key properties of 5-chloro-2-ethoxy-2-hydroxy-1-(thiophene-2-carbonyl)-3H-indole-3-carboxamide?
5-chloro-2-ethoxy-2-hydroxy-1-(thiophene-2-carbonyl)-3H-indole-3-carboxamide has a molecular weight of 366.83 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethoxy-2-hydroxy-1-(thiophene-2-carbonyl)-3H-indole-3-carboxamide is sourced from PubChem (CID 11793306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).