4-amino-1-[2-[4-(3-hydroxyazetidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide

C20H28N4O5S — CID 66817321

IUPAC4-amino-1-[2-[4-(3-hydroxyazetidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide
SMILESCc1cc(C(=O)N2CC(O)C2)cc(C)c1C=CS(=O)(=O)N1CCC(N)(C(N)=O)CC1
InChIInChI=1S/C20H28N4O5S/c1-13-9-15(18(26)23-11-16(25)12-23)10-14(2)17(13)3-8-30(28,29)24-6-4-20(22,5-7-24)19(21)27/h3,8-10,16,25H,4-7,11-12,22H2,1-2H3,(H2,21,27)
InChIKeyYDFFGQXRTFLMCU-UHFFFAOYSA-N
MW436.53 g/mol
LogP-0.30
Rot. Bonds5

About 4-amino-1-[2-[4-(3-hydroxyazetidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide

4-amino-1-[2-[4-(3-hydroxyazetidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide (PubChem CID 66817321) has the molecular formula C20H28N4O5S and a molecular weight of 436.53 g/mol. Its IUPAC name is 4-amino-1-[2-[4-(3-hydroxyazetidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-amino-1-[2-[4-(3-hydroxyazetidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide
PubChem CID66817321
Molecular FormulaC20H28N4O5S
Molecular Weight436.53 g/mol
Exact Mass436.18
IUPAC Name4-amino-1-[2-[4-(3-hydroxyazetidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide
SMILESCc1cc(C(=O)N2CC(O)C2)cc(C)c1C=CS(=O)(=O)N1CCC(N)(C(N)=O)CC1
InChIInChI=1S/C20H28N4O5S/c1-13-9-15(18(26)23-11-16(25)12-23)10-14(2)17(13)3-8-30(28,29)24-6-4-20(22,5-7-24)19(21)27/h3,8-10,16,25H,4-7,11-12,22H2,1-2H3,(H2,21,27)
InChIKeyYDFFGQXRTFLMCU-UHFFFAOYSA-N
XLogP-0.30
TPSA147.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-1-[2-[4-(3-hydroxyazetidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide 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

4-amino-1-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide
CID 66817203
4-amino-1-[(E)-2-[4-(4-hydroxypiperidine-1-carbonyl)-2,6-dimethylphenyl]ethenyl]sulfonylpiperidine-4-carboxamide
CID 66817202
1-[2-[4-(3-hydroxyazetidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidin-4-one
CID 77192720
8-[(E)-2-[4-(4-hydroxypiperidine-1-carbonyl)-2,6-dimethylphenyl]ethenyl]sulfonyl-2-sulfanylidene-1,8-diazaspiro[4.5]decan-4-one
CID 157441835
1-[2-[4-[4-(fluoromethyl)-4-hydroxypiperidine-1-carbonyl]-2,6-dimethylphenyl]ethenylsulfonyl]piperidin-4-one
CID 77192736
8-[(E)-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-2,6-dimethylphenyl]ethenyl]sulfonyl-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66817110
2-(2,2-difluoro-1,3-benzodioxol-5-yl)-8-[(E)-2-[4-(4-hydroxypiperidine-1-carbonyl)-2,6-dimethylphenyl]ethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66817196
2-(3,4-dichlorophenyl)-8-[(E)-2-[4-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2,6-dimethylphenyl]ethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66817159
(3,5-diaminophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107209954
(3-hydroxyazetidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103957501
8-[(E)-2-[2,6-dimethyl-4-(pyrrolidine-1-carbonyl)phenyl]ethenyl]sulfonyl-2-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66816129
8-[2-[4-(3-fluoropyrrolidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66817927

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-[4-(3-hydroxyazetidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide?
The IUPAC name of 4-amino-1-[2-[4-(3-hydroxyazetidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide (CID 66817321) is 4-amino-1-[2-[4-(3-hydroxyazetidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-amino-1-[2-[4-(3-hydroxyazetidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide?
The canonical SMILES for 4-amino-1-[2-[4-(3-hydroxyazetidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide is Cc1cc(C(=O)N2CC(O)C2)cc(C)c1C=CS(=O)(=O)N1CCC(N)(C(N)=O)CC1.
What is the InChIKey of 4-amino-1-[2-[4-(3-hydroxyazetidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide?
The InChIKey is YDFFGQXRTFLMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O5S/c1-13-9-15(18(26)23-11-16(25)12-23)10-14(2)17(13)3-8-30(28,29)24-6-4-20(22,5-7-24)19(21)27/h3,8-10,16,25H,4-7,11-12,22H2,1-2H3,(H2,21,27).
What are the key properties of 4-amino-1-[2-[4-(3-hydroxyazetidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide?
4-amino-1-[2-[4-(3-hydroxyazetidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide has a molecular weight of 436.53 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-[4-(3-hydroxyazetidine-1-carbonyl)-2,6-dimethylphenyl]ethenylsulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 66817321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).