2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide

C21H26N2O3S — CID 17312033

IUPAC2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-16-5-7-18(8-6-16)14-21(24)22-19-9-11-20(12-10-19)27(25,26)23-13-3-4-17(2)15-23/h5-12,17H,3-4,13-15H2,1-2H3,(H,22,24)
InChIKeyUZEHYMRQLBWXBV-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.60
Rot. Bonds5

About 2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide

2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide (PubChem CID 17312033) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
PubChem CID17312033
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-16-5-7-18(8-6-16)14-21(24)22-19-9-11-20(12-10-19)27(25,26)23-13-3-4-17(2)15-23/h5-12,17H,3-4,13-15H2,1-2H3,(H,22,24)
InChIKeyUZEHYMRQLBWXBV-UHFFFAOYSA-N
XLogP3.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17311952
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide
CID 1291427
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 41080778
(3S)-1-(4-methylphenyl)sulfonyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-3-carboxamide
CID 125047577
3-[4-(dimethylamino)phenyl]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 24555453
1-(4-methylphenyl)-2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethanone
CID 110825912
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 1152741
2-cyclohexyloxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 51958298
N-(4-ethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3151854

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide (CID 17312033) is 2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide is Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is UZEHYMRQLBWXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16-5-7-18(8-6-16)14-21(24)22-19-9-11-20(12-10-19)27(25,26)23-13-3-4-17(2)15-23/h5-12,17H,3-4,13-15H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 386.52 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 17312033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).