2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]thiophene-3-carboxamide

C15H14N2O4S — CID 46926712

IUPAC2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H14N2O4S/c16-14(19)10-3-6-22-15(10)17-13(18)8-9-1-2-11-12(7-9)21-5-4-20-11/h1-3,6-7H,4-5,8H2,(H2,16,19)(H,17,18)
InChIKeyNVIOJYZRUWJFJF-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.80
Rot. Bonds4

About 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]thiophene-3-carboxamide

2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]thiophene-3-carboxamide (PubChem CID 46926712) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]thiophene-3-carboxamide
PubChem CID46926712
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H14N2O4S/c16-14(19)10-3-6-22-15(10)17-13(18)8-9-1-2-11-12(7-9)21-5-4-20-11/h1-3,6-7H,4-5,8H2,(H2,16,19)(H,17,18)
InChIKeyNVIOJYZRUWJFJF-UHFFFAOYSA-N
XLogP1.80
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]thiophene-3-carboxamide (CID 46926712) is 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)Cc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]thiophene-3-carboxamide?
The InChIKey is NVIOJYZRUWJFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c16-14(19)10-3-6-22-15(10)17-13(18)8-9-1-2-11-12(7-9)21-5-4-20-11/h1-3,6-7H,4-5,8H2,(H2,16,19)(H,17,18).
What are the key properties of 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]thiophene-3-carboxamide?
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]thiophene-3-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 46926712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).