5-methoxy-1,2-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]indole-3-carboxamide

C17H17N3O2S — CID 6880015

IUPAC5-methoxy-1,2-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]indole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)N/N=C/c1cccs1)c(C)n2C
InChIInChI=1S/C17H17N3O2S/c1-11-16(17(21)19-18-10-13-5-4-8-23-13)14-9-12(22-3)6-7-15(14)20(11)2/h4-10H,1-3H3,(H,19,21)/b18-10+
InChIKeySDFCFNZDJVCIDD-VCHYOVAHSA-N
MW327.41 g/mol
LogP3.32
Rot. Bonds4

About 5-methoxy-1,2-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]indole-3-carboxamide

5-methoxy-1,2-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]indole-3-carboxamide (PubChem CID 6880015) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 5-methoxy-1,2-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]indole-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-1,2-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]indole-3-carboxamide
PubChem CID6880015
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name5-methoxy-1,2-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]indole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)N/N=C/c1cccs1)c(C)n2C
InChIInChI=1S/C17H17N3O2S/c1-11-16(17(21)19-18-10-13-5-4-8-23-13)14-9-12(22-3)6-7-15(14)20(11)2/h4-10H,1-3H3,(H,19,21)/b18-10+
InChIKeySDFCFNZDJVCIDD-VCHYOVAHSA-N
XLogP3.32
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,2-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]indole-3-carboxamide?
The IUPAC name of 5-methoxy-1,2-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]indole-3-carboxamide (CID 6880015) is 5-methoxy-1,2-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]indole-3-carboxamide.
What is the SMILES notation for 5-methoxy-1,2-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]indole-3-carboxamide?
The canonical SMILES for 5-methoxy-1,2-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]indole-3-carboxamide is COc1ccc2c(c1)c(C(=O)N/N=C/c1cccs1)c(C)n2C.
What is the InChIKey of 5-methoxy-1,2-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]indole-3-carboxamide?
The InChIKey is SDFCFNZDJVCIDD-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-11-16(17(21)19-18-10-13-5-4-8-23-13)14-9-12(22-3)6-7-15(14)20(11)2/h4-10H,1-3H3,(H,19,21)/b18-10+.
What are the key properties of 5-methoxy-1,2-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]indole-3-carboxamide?
5-methoxy-1,2-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]indole-3-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,2-dimethyl-N-[(E)-thiophen-2-ylmethylideneamino]indole-3-carboxamide is sourced from PubChem (CID 6880015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).