N-[1-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C19H20N2O4S — CID 55589295

IUPACN-[1-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCOc1cccc2cc(C(C)NC(=O)C(C)NC(=O)c3cccs3)oc12
InChIInChI=1S/C19H20N2O4S/c1-11(15-10-13-6-4-7-14(24-3)17(13)25-15)20-18(22)12(2)21-19(23)16-8-5-9-26-16/h4-12H,1-3H3,(H,20,22)(H,21,23)
InChIKeyTZDHORXSPAYDKI-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.50
Rot. Bonds6

About N-[1-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 55589295) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[1-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID55589295
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-[1-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCOc1cccc2cc(C(C)NC(=O)C(C)NC(=O)c3cccs3)oc12
InChIInChI=1S/C19H20N2O4S/c1-11(15-10-13-6-4-7-14(24-3)17(13)25-15)20-18(22)12(2)21-19(23)16-8-5-9-26-16/h4-12H,1-3H3,(H,20,22)(H,21,23)
InChIKeyTZDHORXSPAYDKI-UHFFFAOYSA-N
XLogP3.50
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 31440003
N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51298996
cis-(1S,2R)-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 51671753
7-methoxy-N-[1-(4-methylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 53281692
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 47024453
N-[1-[1-(3-bromophenyl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 43059234
methyl 3-methyl-2-[2-(thiophene-2-carbonylamino)propanoylamino]butanoate
CID 43409419
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
N-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756520
N-[1-oxo-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]thiophene-2-carboxamide
CID 46643139
2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]oxyacetamide
CID 112672661
N-[1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46476899

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 55589295) is N-[1-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is COc1cccc2cc(C(C)NC(=O)C(C)NC(=O)c3cccs3)oc12.
What is the InChIKey of N-[1-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is TZDHORXSPAYDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-11(15-10-13-6-4-7-14(24-3)17(13)25-15)20-18(22)12(2)21-19(23)16-8-5-9-26-16/h4-12H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[1-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55589295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).