5-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropanecarbonylamino)-4-methylthiophene-3-carboxamide

C18H18N2O4S — CID 7095929

IUPAC5-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropanecarbonylamino)-4-methylthiophene-3-carboxamide
SMILESCc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)C2CC2)c1C(N)=O
InChIInChI=1S/C18H18N2O4S/c1-9-14(7-10-2-5-12-13(6-10)24-8-23-12)25-18(15(9)16(19)21)20-17(22)11-3-4-11/h2,5-6,11H,3-4,7-8H2,1H3,(H2,19,21)(H,20,22)
InChIKeySUSGPICSIHLDDT-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.82
Rot. Bonds5

About 5-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropanecarbonylamino)-4-methylthiophene-3-carboxamide

5-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropanecarbonylamino)-4-methylthiophene-3-carboxamide (PubChem CID 7095929) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropanecarbonylamino)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropanecarbonylamino)-4-methylthiophene-3-carboxamide
PubChem CID7095929
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name5-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropanecarbonylamino)-4-methylthiophene-3-carboxamide
SMILESCc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)C2CC2)c1C(N)=O
InChIInChI=1S/C18H18N2O4S/c1-9-14(7-10-2-5-12-13(6-10)24-8-23-12)25-18(15(9)16(19)21)20-17(22)11-3-4-11/h2,5-6,11H,3-4,7-8H2,1H3,(H2,19,21)(H,20,22)
InChIKeySUSGPICSIHLDDT-UHFFFAOYSA-N
XLogP2.82
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropanecarbonylamino)-4-methylthiophene-3-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 5-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropanecarbonylamino)-4-methylthiophene-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropanecarbonylamino)-4-methylthiophene-3-carboxamide (CID 7095929) is 5-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropanecarbonylamino)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropanecarbonylamino)-4-methylthiophene-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropanecarbonylamino)-4-methylthiophene-3-carboxamide is Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)C2CC2)c1C(N)=O.
What is the InChIKey of 5-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropanecarbonylamino)-4-methylthiophene-3-carboxamide?
The InChIKey is SUSGPICSIHLDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-9-14(7-10-2-5-12-13(6-10)24-8-23-12)25-18(15(9)16(19)21)20-17(22)11-3-4-11/h2,5-6,11H,3-4,7-8H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of 5-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropanecarbonylamino)-4-methylthiophene-3-carboxamide?
5-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropanecarbonylamino)-4-methylthiophene-3-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropanecarbonylamino)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 7095929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).