N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide

C20H23N3O5S — CID 55668800

IUPACN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
SMILESCCOc1cccc2cc(C(C)NC(=O)CN(C)S(=O)(=O)c3cccnc3)oc12
InChIInChI=1S/C20H23N3O5S/c1-4-27-17-9-5-7-15-11-18(28-20(15)17)14(2)22-19(24)13-23(3)29(25,26)16-8-6-10-21-12-16/h5-12,14H,4,13H2,1-3H3,(H,22,24)
InChIKeyKDCFAWGNJHUNEH-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.72
Rot. Bonds8

About N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide

N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide (PubChem CID 55668800) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
PubChem CID55668800
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
SMILESCCOc1cccc2cc(C(C)NC(=O)CN(C)S(=O)(=O)c3cccnc3)oc12
InChIInChI=1S/C20H23N3O5S/c1-4-27-17-9-5-7-15-11-18(28-20(15)17)14(2)22-19(24)13-23(3)29(25,26)16-8-6-10-21-12-16/h5-12,14H,4,13H2,1-3H3,(H,22,24)
InChIKeyKDCFAWGNJHUNEH-UHFFFAOYSA-N
XLogP2.72
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]acetamide
CID 55537196
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 46435313
4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
CID 120559371
(2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119369262
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 55396325
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-nitrophenyl)acetamide
CID 51214021
1-[(2,4-difluorophenyl)methyl]-3-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-methylurea
CID 55590356
N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 97237661
N-[2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 17403478
N-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 119495672
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86841700
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015116

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide (CID 55668800) is N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide is CCOc1cccc2cc(C(C)NC(=O)CN(C)S(=O)(=O)c3cccnc3)oc12.
What is the InChIKey of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The InChIKey is KDCFAWGNJHUNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-4-27-17-9-5-7-15-11-18(28-20(15)17)14(2)22-19(24)13-23(3)29(25,26)16-8-6-10-21-12-16/h5-12,14H,4,13H2,1-3H3,(H,22,24).
What are the key properties of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide has a molecular weight of 417.49 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 55668800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).