N-[4-[[4-(4-methylidenepiperidine-1-carbonyl)phenyl]methylsulfamoyl]phenyl]acetamide

C22H25N3O4S — CID 56537927

IUPACN-[4-[[4-(4-methylidenepiperidine-1-carbonyl)phenyl]methylsulfamoyl]phenyl]acetamide
SMILESC=C1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)CC1
InChIInChI=1S/C22H25N3O4S/c1-16-11-13-25(14-12-16)22(27)19-5-3-18(4-6-19)15-23-30(28,29)21-9-7-20(8-10-21)24-17(2)26/h3-10,23H,1,11-15H2,2H3,(H,24,26)
InChIKeyAQZIHARZLCGOER-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.92
Rot. Bonds6

About N-[4-[[4-(4-methylidenepiperidine-1-carbonyl)phenyl]methylsulfamoyl]phenyl]acetamide

N-[4-[[4-(4-methylidenepiperidine-1-carbonyl)phenyl]methylsulfamoyl]phenyl]acetamide (PubChem CID 56537927) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[4-[[4-(4-methylidenepiperidine-1-carbonyl)phenyl]methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(4-methylidenepiperidine-1-carbonyl)phenyl]methylsulfamoyl]phenyl]acetamide
PubChem CID56537927
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC NameN-[4-[[4-(4-methylidenepiperidine-1-carbonyl)phenyl]methylsulfamoyl]phenyl]acetamide
SMILESC=C1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)CC1
InChIInChI=1S/C22H25N3O4S/c1-16-11-13-25(14-12-16)22(27)19-5-3-18(4-6-19)15-23-30(28,29)21-9-7-20(8-10-21)24-17(2)26/h3-10,23H,1,11-15H2,2H3,(H,24,26)
InChIKeyAQZIHARZLCGOER-UHFFFAOYSA-N
XLogP2.92
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide
CID 26531816
N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174
4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 3641567
N-[4-(benzenesulfonamidomethyl)phenyl]acetamide
CID 32683830
N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide
CID 110780438
4-methyl-N-[[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 3641566
N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059407
4-acetyl-N-[[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide
CID 55957914
[4-[[(4-acetamidophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191327
N-[4-[[4-(dimethylamino)phenyl]methylsulfamoyl]phenyl]acetamide
CID 9031624
N-[[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]methyl]-4-fluorobenzenesulfonamide
CID 5073698
N-ethyl-4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 32771990

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(4-methylidenepiperidine-1-carbonyl)phenyl]methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(4-methylidenepiperidine-1-carbonyl)phenyl]methylsulfamoyl]phenyl]acetamide (CID 56537927) is N-[4-[[4-(4-methylidenepiperidine-1-carbonyl)phenyl]methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(4-methylidenepiperidine-1-carbonyl)phenyl]methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(4-methylidenepiperidine-1-carbonyl)phenyl]methylsulfamoyl]phenyl]acetamide is C=C1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)CC1.
What is the InChIKey of N-[4-[[4-(4-methylidenepiperidine-1-carbonyl)phenyl]methylsulfamoyl]phenyl]acetamide?
The InChIKey is AQZIHARZLCGOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-16-11-13-25(14-12-16)22(27)19-5-3-18(4-6-19)15-23-30(28,29)21-9-7-20(8-10-21)24-17(2)26/h3-10,23H,1,11-15H2,2H3,(H,24,26).
What are the key properties of N-[4-[[4-(4-methylidenepiperidine-1-carbonyl)phenyl]methylsulfamoyl]phenyl]acetamide?
N-[4-[[4-(4-methylidenepiperidine-1-carbonyl)phenyl]methylsulfamoyl]phenyl]acetamide has a molecular weight of 427.53 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(4-methylidenepiperidine-1-carbonyl)phenyl]methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 56537927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).