2-(4-methoxyanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone

C20H24N2O4S — CID 110824089

IUPAC2-(4-methoxyanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
SMILESCOc1ccc(NCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-26-18-9-7-17(8-10-18)21-15-20(23)16-5-11-19(12-6-16)27(24,25)22-13-3-2-4-14-22/h5-12,21H,2-4,13-15H2,1H3
InChIKeyHRCQIBIITSDKCU-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.16
Rot. Bonds7

About 2-(4-methoxyanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone

2-(4-methoxyanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone (PubChem CID 110824089) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-methoxyanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
PubChem CID110824089
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-(4-methoxyanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
SMILESCOc1ccc(NCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-26-18-9-7-17(8-10-18)21-15-20(23)16-5-11-19(12-6-16)27(24,25)22-13-3-2-4-14-22/h5-12,21H,2-4,13-15H2,1H3
InChIKeyHRCQIBIITSDKCU-UHFFFAOYSA-N
XLogP3.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(azepan-1-ylsulfonyl)anilino]-1-(4-chlorophenyl)ethanone
CID 110825269
2-(4-bromoanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824094
2-(4-fluoroanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824126
2-[4-(azepan-1-ylsulfonyl)anilino]-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110828288
1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone
CID 110828401
2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110827989
2-(3-chloro-4-methoxyanilino)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110824050
[2-(4-methoxyphenyl)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 2346671
2-(3-methylanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824087
N-(4-methoxyphenyl)-2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylacetamide
CID 24816757
N-(2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083617
2-(3-acetylanilino)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110824072

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone?
The IUPAC name of 2-(4-methoxyanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone (CID 110824089) is 2-(4-methoxyanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-(4-methoxyanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone?
The canonical SMILES for 2-(4-methoxyanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone is COc1ccc(NCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone?
The InChIKey is HRCQIBIITSDKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-26-18-9-7-17(8-10-18)21-15-20(23)16-5-11-19(12-6-16)27(24,25)22-13-3-2-4-14-22/h5-12,21H,2-4,13-15H2,1H3.
What are the key properties of 2-(4-methoxyanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone?
2-(4-methoxyanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone has a molecular weight of 388.49 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 110824089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).