1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-6-carboxamide

C14H18N2O4S — CID 176666413

IUPAC1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-6-carboxamide
SMILESNC(=O)c1ccc2c(c1)N(S(=O)(=O)C1CCOCC1)CC2
InChIInChI=1S/C14H18N2O4S/c15-14(17)11-2-1-10-3-6-16(13(10)9-11)21(18,19)12-4-7-20-8-5-12/h1-2,9,12H,3-8H2,(H2,15,17)
InChIKeyJTWJQVJNEPGAAO-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.66
Rot. Bonds3

About 1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-6-carboxamide

1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-6-carboxamide (PubChem CID 176666413) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound Name1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-6-carboxamide
PubChem CID176666413
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-6-carboxamide
SMILESNC(=O)c1ccc2c(c1)N(S(=O)(=O)C1CCOCC1)CC2
InChIInChI=1S/C14H18N2O4S/c15-14(17)11-2-1-10-3-6-16(13(10)9-11)21(18,19)12-4-7-20-8-5-12/h1-2,9,12H,3-8H2,(H2,15,17)
InChIKeyJTWJQVJNEPGAAO-UHFFFAOYSA-N
XLogP0.66
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-6-carboxamide?
The IUPAC name of 1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-6-carboxamide (CID 176666413) is 1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-6-carboxamide.
What is the SMILES notation for 1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-6-carboxamide?
The canonical SMILES for 1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-6-carboxamide is NC(=O)c1ccc2c(c1)N(S(=O)(=O)C1CCOCC1)CC2.
What is the InChIKey of 1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-6-carboxamide?
The InChIKey is JTWJQVJNEPGAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c15-14(17)11-2-1-10-3-6-16(13(10)9-11)21(18,19)12-4-7-20-8-5-12/h1-2,9,12H,3-8H2,(H2,15,17).
What are the key properties of 1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-6-carboxamide?
1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-6-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 176666413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).