N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

C18H18N2O3S — CID 17398961

IUPACN-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)NC(C)c2cc3ccccc3o2)s1
InChIInChI=1S/C18H18N2O3S/c1-11-7-8-16(24-11)18(22)19-10-17(21)20-12(2)15-9-13-5-3-4-6-14(13)23-15/h3-9,12H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyUFHJUWISWRKMMO-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.41
Rot. Bonds5

About N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 17398961) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID17398961
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)NC(C)c2cc3ccccc3o2)s1
InChIInChI=1S/C18H18N2O3S/c1-11-7-8-16(24-11)18(22)19-10-17(21)20-12(2)15-9-13-5-3-4-6-14(13)23-15/h3-9,12H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyUFHJUWISWRKMMO-UHFFFAOYSA-N
XLogP3.41
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17414778
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-tert-butylbenzamide
CID 46531576
N-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9367319
N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 26005805
N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-4-butoxybenzamide
CID 9366881
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N'-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 41037019
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
(E)-N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 9368140
2-(benzhydrylamino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 8596608
2-[[N-[1-(1-benzofuran-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119133303

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 17398961) is N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)NC(C)c2cc3ccccc3o2)s1.
What is the InChIKey of N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is UFHJUWISWRKMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-11-7-8-16(24-11)18(22)19-10-17(21)20-12(2)15-9-13-5-3-4-6-14(13)23-15/h3-9,12H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 17398961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).