2-[(3,4-dimethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C23H24N2O5S — CID 1283751

IUPAC2-[(3,4-dimethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1OC
InChIInChI=1S/C23H24N2O5S/c1-28-17-10-9-14(12-18(17)29-2)21(26)25-23-20(16-7-3-4-8-19(16)31-23)22(27)24-13-15-6-5-11-30-15/h5-6,9-12H,3-4,7-8,13H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyFZCBMOCOLVJJPS-UHFFFAOYSA-N
MW440.52 g/mol
LogP4.42
Rot. Bonds7

About 2-[(3,4-dimethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-[(3,4-dimethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 1283751) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is 2-[(3,4-dimethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID1283751
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name2-[(3,4-dimethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1OC
InChIInChI=1S/C23H24N2O5S/c1-28-17-10-9-14(12-18(17)29-2)21(26)25-23-20(16-7-3-4-8-19(16)31-23)22(27)24-13-15-6-5-11-30-15/h5-6,9-12H,3-4,7-8,13H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyFZCBMOCOLVJJPS-UHFFFAOYSA-N
XLogP4.42
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-[(3,4-dimethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 1283751) is 2-[(3,4-dimethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-[(3,4-dimethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-[(3,4-dimethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is COc1ccc(C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is FZCBMOCOLVJJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-28-17-10-9-14(12-18(17)29-2)21(26)25-23-20(16-7-3-4-8-19(16)31-23)22(27)24-13-15-6-5-11-30-15/h5-6,9-12H,3-4,7-8,13H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 2-[(3,4-dimethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
2-[(3,4-dimethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxybenzoyl)amino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 1283751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).