1-(1-benzofuran-2-yl)-2-[4-(2-methylpiperidin-1-yl)sulfonylanilino]ethanone

C22H24N2O4S — CID 110828563

IUPAC1-(1-benzofuran-2-yl)-2-[4-(2-methylpiperidin-1-yl)sulfonylanilino]ethanone
SMILESCC1CCCCN1S(=O)(=O)c1ccc(NCC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C22H24N2O4S/c1-16-6-4-5-13-24(16)29(26,27)19-11-9-18(10-12-19)23-15-20(25)22-14-17-7-2-3-8-21(17)28-22/h2-3,7-12,14,16,23H,4-6,13,15H2,1H3
InChIKeySZVDZJHUHUXVJL-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.29
Rot. Bonds6

About 1-(1-benzofuran-2-yl)-2-[4-(2-methylpiperidin-1-yl)sulfonylanilino]ethanone

1-(1-benzofuran-2-yl)-2-[4-(2-methylpiperidin-1-yl)sulfonylanilino]ethanone (PubChem CID 110828563) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-[4-(2-methylpiperidin-1-yl)sulfonylanilino]ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-[4-(2-methylpiperidin-1-yl)sulfonylanilino]ethanone
PubChem CID110828563
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name1-(1-benzofuran-2-yl)-2-[4-(2-methylpiperidin-1-yl)sulfonylanilino]ethanone
SMILESCC1CCCCN1S(=O)(=O)c1ccc(NCC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C22H24N2O4S/c1-16-6-4-5-13-24(16)29(26,27)19-11-9-18(10-12-19)23-15-20(25)22-14-17-7-2-3-8-21(17)28-22/h2-3,7-12,14,16,23H,4-6,13,15H2,1H3
InChIKeySZVDZJHUHUXVJL-UHFFFAOYSA-N
XLogP4.29
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(azepan-1-ylsulfonyl)anilino]-1-(1-benzofuran-2-yl)ethanone
CID 110828562
4-(2-methylpiperidin-1-yl)sulfonyl-N-naphthalen-2-ylbenzamide
CID 3267062
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 1140841
3-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide
CID 2926058
N-[(2-methylphenyl)methyl]-4-(2-methylpiperidin-1-yl)sulfonylaniline
CID 110827326
2-methyl-1-naphthalen-2-ylsulfonylpiperidine
CID 3745150
3-[4-(2-methylpiperidin-1-yl)sulfonylanilino]propane-1,2-diol
CID 168595112
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-benzofuran-2-carboxamide
CID 9362905
N-heptyl-4-(2-methylpiperidin-1-yl)sulfonylaniline
CID 110826925
N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide
CID 7921841
5,7-dimethyl-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-oxochromene-2-carboxamide
CID 40965332
1-(1-benzofuran-2-yl)-2-(3,4-dichloroanilino)ethanone
CID 110824293

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-[4-(2-methylpiperidin-1-yl)sulfonylanilino]ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-[4-(2-methylpiperidin-1-yl)sulfonylanilino]ethanone (CID 110828563) is 1-(1-benzofuran-2-yl)-2-[4-(2-methylpiperidin-1-yl)sulfonylanilino]ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-[4-(2-methylpiperidin-1-yl)sulfonylanilino]ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-[4-(2-methylpiperidin-1-yl)sulfonylanilino]ethanone is CC1CCCCN1S(=O)(=O)c1ccc(NCC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-[4-(2-methylpiperidin-1-yl)sulfonylanilino]ethanone?
The InChIKey is SZVDZJHUHUXVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-16-6-4-5-13-24(16)29(26,27)19-11-9-18(10-12-19)23-15-20(25)22-14-17-7-2-3-8-21(17)28-22/h2-3,7-12,14,16,23H,4-6,13,15H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-[4-(2-methylpiperidin-1-yl)sulfonylanilino]ethanone?
1-(1-benzofuran-2-yl)-2-[4-(2-methylpiperidin-1-yl)sulfonylanilino]ethanone has a molecular weight of 412.51 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-[4-(2-methylpiperidin-1-yl)sulfonylanilino]ethanone is sourced from PubChem (CID 110828563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).