N-[4-[4-[(1-acetylpiperidin-4-yl)methylsulfamoyl]phenyl]phenyl]acetamide

C22H27N3O4S — CID 166195615

IUPACN-[4-[4-[(1-acetylpiperidin-4-yl)methylsulfamoyl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(S(=O)(=O)NCC3CCN(C(C)=O)CC3)cc2)cc1
InChIInChI=1S/C22H27N3O4S/c1-16(26)24-21-7-3-19(4-8-21)20-5-9-22(10-6-20)30(28,29)23-15-18-11-13-25(14-12-18)17(2)27/h3-10,18,23H,11-15H2,1-2H3,(H,24,26)
InChIKeyVLGNWRWCISYKFH-UHFFFAOYSA-N
MW429.54 g/mol
LogP2.85
Rot. Bonds6

About N-[4-[4-[(1-acetylpiperidin-4-yl)methylsulfamoyl]phenyl]phenyl]acetamide

N-[4-[4-[(1-acetylpiperidin-4-yl)methylsulfamoyl]phenyl]phenyl]acetamide (PubChem CID 166195615) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-[4-[4-[(1-acetylpiperidin-4-yl)methylsulfamoyl]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(1-acetylpiperidin-4-yl)methylsulfamoyl]phenyl]phenyl]acetamide
PubChem CID166195615
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN-[4-[4-[(1-acetylpiperidin-4-yl)methylsulfamoyl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(S(=O)(=O)NCC3CCN(C(C)=O)CC3)cc2)cc1
InChIInChI=1S/C22H27N3O4S/c1-16(26)24-21-7-3-19(4-8-21)20-5-9-22(10-6-20)30(28,29)23-15-18-11-13-25(14-12-18)17(2)27/h3-10,18,23H,11-15H2,1-2H3,(H,24,26)
InChIKeyVLGNWRWCISYKFH-UHFFFAOYSA-N
XLogP2.85
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 110736220
N-[4-[[1-(2-methylpropyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide
CID 110291740
N-[4-[[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexyl]methylsulfamoyl]phenyl]acetamide
CID 92506331
2-methyl-N-[4-[(1-methylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide
CID 16887477
N-[4-[(3-hydroxycyclopentyl)methylsulfamoyl]phenyl]acetamide
CID 103270149
N-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110736227
(2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide
CID 167949883
1-acetyl-N-[4-(benzylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 6470610
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149
methyl N-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methylsulfamoyl]phenyl]carbamate
CID 71806969
1-[[4-(cyclopropylmethylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122085695
N-[4-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylsulfamoyl]phenyl]acetamide
CID 7309353

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(1-acetylpiperidin-4-yl)methylsulfamoyl]phenyl]phenyl]acetamide?
The IUPAC name of N-[4-[4-[(1-acetylpiperidin-4-yl)methylsulfamoyl]phenyl]phenyl]acetamide (CID 166195615) is N-[4-[4-[(1-acetylpiperidin-4-yl)methylsulfamoyl]phenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[(1-acetylpiperidin-4-yl)methylsulfamoyl]phenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[(1-acetylpiperidin-4-yl)methylsulfamoyl]phenyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)NCC3CCN(C(C)=O)CC3)cc2)cc1.
What is the InChIKey of N-[4-[4-[(1-acetylpiperidin-4-yl)methylsulfamoyl]phenyl]phenyl]acetamide?
The InChIKey is VLGNWRWCISYKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-16(26)24-21-7-3-19(4-8-21)20-5-9-22(10-6-20)30(28,29)23-15-18-11-13-25(14-12-18)17(2)27/h3-10,18,23H,11-15H2,1-2H3,(H,24,26).
What are the key properties of N-[4-[4-[(1-acetylpiperidin-4-yl)methylsulfamoyl]phenyl]phenyl]acetamide?
N-[4-[4-[(1-acetylpiperidin-4-yl)methylsulfamoyl]phenyl]phenyl]acetamide has a molecular weight of 429.54 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(1-acetylpiperidin-4-yl)methylsulfamoyl]phenyl]phenyl]acetamide is sourced from PubChem (CID 166195615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).