2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

C19H22N2O5S2 — CID 3160801

IUPAC2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H22N2O5S2/c22-19(15-27(23,24)17-7-3-1-4-8-17)20-16-9-11-18(12-10-16)28(25,26)21-13-5-2-6-14-21/h1,3-4,7-12H,2,5-6,13-15H2,(H,20,22)
InChIKeyRWGKKVQEKBPIJX-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.27
Rot. Bonds6

About 2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 3160801) has the molecular formula C19H22N2O5S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID3160801
Molecular FormulaC19H22N2O5S2
Molecular Weight422.53 g/mol
Exact Mass422.10
IUPAC Name2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H22N2O5S2/c22-19(15-27(23,24)17-7-3-1-4-8-17)20-16-9-11-18(12-10-16)28(25,26)21-13-5-2-6-14-21/h1,3-4,7-12H,2,5-6,13-15H2,(H,20,22)
InChIKeyRWGKKVQEKBPIJX-UHFFFAOYSA-N
XLogP2.27
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 3163464
2-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17309488
2-(benzenesulfonyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 4596496
2-(3-phenylpropylsulfonyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 38953804
4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
CID 6968365
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55499906
benzyl-methyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]azanium
CID 8901136
[(1S)-2-methyl-1-phenylpropyl]-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]azanium
CID 9131656
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
(3R)-3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 2094762
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7819713
N-(2-anilino-2-oxoethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 112507310

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 3160801) is 2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is RWGKKVQEKBPIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S2/c22-19(15-27(23,24)17-7-3-1-4-8-17)20-16-9-11-18(12-10-16)28(25,26)21-13-5-2-6-14-21/h1,3-4,7-12H,2,5-6,13-15H2,(H,20,22).
What are the key properties of 2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 422.53 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 3160801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).