5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide

C19H22N2O3S — CID 120602550

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCC1CC(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)CCN1
InChIInChI=1S/C19H22N2O3S/c1-12-10-14(6-7-20-12)21-19(22)18-5-4-17(25-18)13-2-3-15-16(11-13)24-9-8-23-15/h2-5,11-12,14,20H,6-10H2,1H3,(H,21,22)
InChIKeyCHRVVQQCMQMQAH-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.06
Rot. Bonds3

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide (PubChem CID 120602550) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
PubChem CID120602550
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCC1CC(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)CCN1
InChIInChI=1S/C19H22N2O3S/c1-12-10-14(6-7-20-12)21-19(22)18-5-4-17(25-18)13-2-3-15-16(11-13)24-9-8-23-15/h2-5,11-12,14,20H,6-10H2,1H3,(H,21,22)
InChIKeyCHRVVQQCMQMQAH-UHFFFAOYSA-N
XLogP3.06
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide (CID 120602550) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide is CC1CC(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)CCN1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide?
The InChIKey is CHRVVQQCMQMQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-12-10-14(6-7-20-12)21-19(22)18-5-4-17(25-18)13-2-3-15-16(11-13)24-9-8-23-15/h2-5,11-12,14,20H,6-10H2,1H3,(H,21,22).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 120602550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).