N,N-dipropyl-3-[(2-thiophen-2-ylacetyl)amino]-1-benzofuran-2-carboxamide

C21H24N2O3S — CID 20926305

IUPACN,N-dipropyl-3-[(2-thiophen-2-ylacetyl)amino]-1-benzofuran-2-carboxamide
SMILESCCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)Cc1cccs1
InChIInChI=1S/C21H24N2O3S/c1-3-11-23(12-4-2)21(25)20-19(16-9-5-6-10-17(16)26-20)22-18(24)14-15-8-7-13-27-15/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,22,24)
InChIKeyOLMGOGZCCWINIR-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.94
Rot. Bonds8

About N,N-dipropyl-3-[(2-thiophen-2-ylacetyl)amino]-1-benzofuran-2-carboxamide

N,N-dipropyl-3-[(2-thiophen-2-ylacetyl)amino]-1-benzofuran-2-carboxamide (PubChem CID 20926305) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N,N-dipropyl-3-[(2-thiophen-2-ylacetyl)amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN,N-dipropyl-3-[(2-thiophen-2-ylacetyl)amino]-1-benzofuran-2-carboxamide
PubChem CID20926305
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN,N-dipropyl-3-[(2-thiophen-2-ylacetyl)amino]-1-benzofuran-2-carboxamide
SMILESCCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)Cc1cccs1
InChIInChI=1S/C21H24N2O3S/c1-3-11-23(12-4-2)21(25)20-19(16-9-5-6-10-17(16)26-20)22-18(24)14-15-8-7-13-27-15/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,22,24)
InChIKeyOLMGOGZCCWINIR-UHFFFAOYSA-N
XLogP4.94
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3-methylphenyl)acetyl]amino]-N,N-dipropyl-1-benzofuran-2-carboxamide
CID 20926316
3-[(2-cyclopentylacetyl)amino]-N,N-dipropyl-1-benzofuran-2-carboxamide
CID 22511134
N,N-diethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide
CID 46281672
N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide
CID 20925724
N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide
CID 20925721
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
3-[(3,5-dimethoxybenzoyl)amino]-N,N-diethyl-1-benzofuran-2-carboxamide
CID 22511094
N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 8952610
N,N-diethyl-3-(2-phenoxypropanoylamino)-1-benzofuran-2-carboxamide
CID 20926182
N-(2-acetyl-1-benzofuran-3-yl)-2-propoxyacetamide
CID 86817850

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-3-[(2-thiophen-2-ylacetyl)amino]-1-benzofuran-2-carboxamide?
The IUPAC name of N,N-dipropyl-3-[(2-thiophen-2-ylacetyl)amino]-1-benzofuran-2-carboxamide (CID 20926305) is N,N-dipropyl-3-[(2-thiophen-2-ylacetyl)amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N,N-dipropyl-3-[(2-thiophen-2-ylacetyl)amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N,N-dipropyl-3-[(2-thiophen-2-ylacetyl)amino]-1-benzofuran-2-carboxamide is CCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)Cc1cccs1.
What is the InChIKey of N,N-dipropyl-3-[(2-thiophen-2-ylacetyl)amino]-1-benzofuran-2-carboxamide?
The InChIKey is OLMGOGZCCWINIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-3-11-23(12-4-2)21(25)20-19(16-9-5-6-10-17(16)26-20)22-18(24)14-15-8-7-13-27-15/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,22,24).
What are the key properties of N,N-dipropyl-3-[(2-thiophen-2-ylacetyl)amino]-1-benzofuran-2-carboxamide?
N,N-dipropyl-3-[(2-thiophen-2-ylacetyl)amino]-1-benzofuran-2-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-3-[(2-thiophen-2-ylacetyl)amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 20926305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).