N-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide

C21H26N2O4S — CID 4938402

IUPACN-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H26N2O4S/c1-2-16-27-19-10-6-17(7-11-19)21(24)22-18-8-12-20(13-9-18)28(25,26)23-14-4-3-5-15-23/h6-13H,2-5,14-16H2,1H3,(H,22,24)
InChIKeyAUDABJVAEZBQBP-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.90
Rot. Bonds7

About N-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide

N-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide (PubChem CID 4938402) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide
PubChem CID4938402
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H26N2O4S/c1-2-16-27-19-10-6-17(7-11-19)21(24)22-18-8-12-20(13-9-18)28(25,26)23-14-4-3-5-15-23/h6-13H,2-5,14-16H2,1H3,(H,22,24)
InChIKeyAUDABJVAEZBQBP-UHFFFAOYSA-N
XLogP3.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide 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

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propoxybenzamide
CID 4938426
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-(4-prop-2-enoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100681564
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
1-(4-propoxyphenyl)sulfonylpyrrolidine
CID 60755176
N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 26697285
N-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
CID 26167540
4-(azepan-1-ylsulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 2141431
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 17112612
N-(4-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8961050
3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1077830

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide?
The IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide (CID 4938402) is N-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide.
What is the SMILES notation for N-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide?
The canonical SMILES for N-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of N-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide?
The InChIKey is AUDABJVAEZBQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-2-16-27-19-10-6-17(7-11-19)21(24)22-18-8-12-20(13-9-18)28(25,26)23-14-4-3-5-15-23/h6-13H,2-5,14-16H2,1H3,(H,22,24).
What are the key properties of N-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide?
N-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide has a molecular weight of 402.52 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide is sourced from PubChem (CID 4938402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).