3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

C20H24N2O5S2 — CID 3163464

IUPAC3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H24N2O5S2/c23-20(13-16-28(24,25)18-7-3-1-4-8-18)21-17-9-11-19(12-10-17)29(26,27)22-14-5-2-6-15-22/h1,3-4,7-12H,2,5-6,13-16H2,(H,21,23)
InChIKeyBIRBJAQJUXOFAO-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.66
Rot. Bonds7

About 3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 3163464) has the molecular formula C20H24N2O5S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID3163464
Molecular FormulaC20H24N2O5S2
Molecular Weight436.56 g/mol
Exact Mass436.11
IUPAC Name3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H24N2O5S2/c23-20(13-16-28(24,25)18-7-3-1-4-8-18)21-17-9-11-19(12-10-17)29(26,27)22-14-5-2-6-15-22/h1,3-4,7-12H,2,5-6,13-16H2,(H,21,23)
InChIKeyBIRBJAQJUXOFAO-UHFFFAOYSA-N
XLogP2.66
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 3160801
4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
CID 6968365
3-(benzenesulfonyl)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]propanamide
CID 26918163
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55499906
3-(benzenesulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 24636057
3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
CID 4285781
N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
CID 8614889
methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
CID 650944
2-(3-phenylpropylsulfonyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 38953804
3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide
CID 7202615
2-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17309488
N-(4-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 1305863

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 3163464) is 3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is BIRBJAQJUXOFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S2/c23-20(13-16-28(24,25)18-7-3-1-4-8-18)21-17-9-11-19(12-10-17)29(26,27)22-14-5-2-6-15-22/h1,3-4,7-12H,2,5-6,13-16H2,(H,21,23).
What are the key properties of 3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 436.56 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 3163464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).