N-[5-chloro-2-oxo-3-(thiophene-2-carbonyl)-3H-indol-1-yl]formamide

C14H9ClN2O3S — CID 174687426

IUPACN-[5-chloro-2-oxo-3-(thiophene-2-carbonyl)-3H-indol-1-yl]formamide
SMILESO=CNN1C(=O)C(C(=O)c2cccs2)c2cc(Cl)ccc21
InChIInChI=1S/C14H9ClN2O3S/c15-8-3-4-10-9(6-8)12(14(20)17(10)16-7-18)13(19)11-2-1-5-21-11/h1-7,12H,(H,16,18)
InChIKeyKUEWRICUUOPUDU-UHFFFAOYSA-N
MW320.76 g/mol
LogP2.38
Rot. Bonds4

About N-[5-chloro-2-oxo-3-(thiophene-2-carbonyl)-3H-indol-1-yl]formamide

N-[5-chloro-2-oxo-3-(thiophene-2-carbonyl)-3H-indol-1-yl]formamide (PubChem CID 174687426) has the molecular formula C14H9ClN2O3S and a molecular weight of 320.76 g/mol. Its IUPAC name is N-[5-chloro-2-oxo-3-(thiophene-2-carbonyl)-3H-indol-1-yl]formamide.

Molecular Properties

Compound NameN-[5-chloro-2-oxo-3-(thiophene-2-carbonyl)-3H-indol-1-yl]formamide
PubChem CID174687426
Molecular FormulaC14H9ClN2O3S
Molecular Weight320.76 g/mol
Exact Mass320.00
IUPAC NameN-[5-chloro-2-oxo-3-(thiophene-2-carbonyl)-3H-indol-1-yl]formamide
SMILESO=CNN1C(=O)C(C(=O)c2cccs2)c2cc(Cl)ccc21
InChIInChI=1S/C14H9ClN2O3S/c15-8-3-4-10-9(6-8)12(14(20)17(10)16-7-18)13(19)11-2-1-5-21-11/h1-7,12H,(H,16,18)
InChIKeyKUEWRICUUOPUDU-UHFFFAOYSA-N
XLogP2.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.76
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-oxo-3-(thiophene-2-carbonyl)-3H-indol-1-yl]formamide?
The IUPAC name of N-[5-chloro-2-oxo-3-(thiophene-2-carbonyl)-3H-indol-1-yl]formamide (CID 174687426) is N-[5-chloro-2-oxo-3-(thiophene-2-carbonyl)-3H-indol-1-yl]formamide.
What is the SMILES notation for N-[5-chloro-2-oxo-3-(thiophene-2-carbonyl)-3H-indol-1-yl]formamide?
The canonical SMILES for N-[5-chloro-2-oxo-3-(thiophene-2-carbonyl)-3H-indol-1-yl]formamide is O=CNN1C(=O)C(C(=O)c2cccs2)c2cc(Cl)ccc21.
What is the InChIKey of N-[5-chloro-2-oxo-3-(thiophene-2-carbonyl)-3H-indol-1-yl]formamide?
The InChIKey is KUEWRICUUOPUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O3S/c15-8-3-4-10-9(6-8)12(14(20)17(10)16-7-18)13(19)11-2-1-5-21-11/h1-7,12H,(H,16,18).
What are the key properties of N-[5-chloro-2-oxo-3-(thiophene-2-carbonyl)-3H-indol-1-yl]formamide?
N-[5-chloro-2-oxo-3-(thiophene-2-carbonyl)-3H-indol-1-yl]formamide has a molecular weight of 320.76 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-oxo-3-(thiophene-2-carbonyl)-3H-indol-1-yl]formamide is sourced from PubChem (CID 174687426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).