5-chloro-3-[methoxy(thiophen-2-yl)phosphoryl]-1H-indole-2-carboxamide

C14H12ClN2O3PS — CID 15958992

IUPAC5-chloro-3-[methoxy(thiophen-2-yl)phosphoryl]-1H-indole-2-carboxamide
SMILESCOP(=O)(c1cccs1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C14H12ClN2O3PS/c1-20-21(19,11-3-2-6-22-11)13-9-7-8(15)4-5-10(9)17-12(13)14(16)18/h2-7,17H,1H3,(H2,16,18)
InChIKeyCGBRVFGUPUAYMU-UHFFFAOYSA-N
MW354.76 g/mol
LogP2.86
Rot. Bonds4

About 5-chloro-3-[methoxy(thiophen-2-yl)phosphoryl]-1H-indole-2-carboxamide

5-chloro-3-[methoxy(thiophen-2-yl)phosphoryl]-1H-indole-2-carboxamide (PubChem CID 15958992) has the molecular formula C14H12ClN2O3PS and a molecular weight of 354.76 g/mol. Its IUPAC name is 5-chloro-3-[methoxy(thiophen-2-yl)phosphoryl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-[methoxy(thiophen-2-yl)phosphoryl]-1H-indole-2-carboxamide
PubChem CID15958992
Molecular FormulaC14H12ClN2O3PS
Molecular Weight354.76 g/mol
Exact Mass354.00
IUPAC Name5-chloro-3-[methoxy(thiophen-2-yl)phosphoryl]-1H-indole-2-carboxamide
SMILESCOP(=O)(c1cccs1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C14H12ClN2O3PS/c1-20-21(19,11-3-2-6-22-11)13-9-7-8(15)4-5-10(9)17-12(13)14(16)18/h2-7,17H,1H3,(H2,16,18)
InChIKeyCGBRVFGUPUAYMU-UHFFFAOYSA-N
XLogP2.86
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.76
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[methoxy(thiophen-2-yl)phosphoryl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-[methoxy(thiophen-2-yl)phosphoryl]-1H-indole-2-carboxamide (CID 15958992) is 5-chloro-3-[methoxy(thiophen-2-yl)phosphoryl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-[methoxy(thiophen-2-yl)phosphoryl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-[methoxy(thiophen-2-yl)phosphoryl]-1H-indole-2-carboxamide is COP(=O)(c1cccs1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-[methoxy(thiophen-2-yl)phosphoryl]-1H-indole-2-carboxamide?
The InChIKey is CGBRVFGUPUAYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN2O3PS/c1-20-21(19,11-3-2-6-22-11)13-9-7-8(15)4-5-10(9)17-12(13)14(16)18/h2-7,17H,1H3,(H2,16,18).
What are the key properties of 5-chloro-3-[methoxy(thiophen-2-yl)phosphoryl]-1H-indole-2-carboxamide?
5-chloro-3-[methoxy(thiophen-2-yl)phosphoryl]-1H-indole-2-carboxamide has a molecular weight of 354.76 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[methoxy(thiophen-2-yl)phosphoryl]-1H-indole-2-carboxamide is sourced from PubChem (CID 15958992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).