3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide

C21H26N2O4S — CID 66872671

IUPAC3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C21H26N2O4S/c1-16(2)27-19-11-9-18(10-12-19)22-21(24)17-7-6-8-20(15-17)28(25,26)23-13-4-3-5-14-23/h6-12,15-16H,3-5,13-14H2,1-2H3,(H,22,24)
InChIKeyKCQXSOOHMRGABN-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.90
Rot. Bonds6

About 3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide

3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide (PubChem CID 66872671) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide
PubChem CID66872671
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C21H26N2O4S/c1-16(2)27-19-11-9-18(10-12-19)22-21(24)17-7-6-8-20(15-17)28(25,26)23-13-4-3-5-14-23/h6-12,15-16H,3-5,13-14H2,1-2H3,(H,22,24)
InChIKeyKCQXSOOHMRGABN-UHFFFAOYSA-N
XLogP3.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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 3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide 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

propan-2-yl 4-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 7733570
3-(3-methoxypiperidin-1-yl)sulfonyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 66872388
3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide
CID 4851259
(E)-3-(3-piperidin-1-ylsulfonylphenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 66872579
N-(4-butan-2-ylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17226901
N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1250095
3-(azepan-1-ylsulfonyl)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 4793590
N-[4-(methylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19257416
3-butan-2-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 17149736
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2682841
3-[(4-propan-2-yloxyphenyl)carbamoyl]benzenesulfonyl chloride
CID 86649791

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide (CID 66872671) is 3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide is CC(C)Oc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of 3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide?
The InChIKey is KCQXSOOHMRGABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-16(2)27-19-11-9-18(10-12-19)22-21(24)17-7-6-8-20(15-17)28(25,26)23-13-4-3-5-14-23/h6-12,15-16H,3-5,13-14H2,1-2H3,(H,22,24).
What are the key properties of 3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide?
3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide has a molecular weight of 402.52 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 66872671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).