N-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]-2-(2-methylphenyl)acetamide

C22H30N3O3S+ — CID 8850603

IUPACN-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-17-6-4-5-7-18(17)16-22(26)23-19-8-10-21(11-9-19)29(27,28)25(3)20-12-14-24(2)15-13-20/h4-11,20H,12-16H2,1-3H3,(H,23,26)/p+1
InChIKeyAYCUPLQLVRZFTL-UHFFFAOYSA-O
MW416.57 g/mol
LogP1.47
Rot. Bonds6

About N-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]-2-(2-methylphenyl)acetamide

N-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]-2-(2-methylphenyl)acetamide (PubChem CID 8850603) has the molecular formula C22H30N3O3S+ and a molecular weight of 416.57 g/mol. Its IUPAC name is N-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]-2-(2-methylphenyl)acetamide
PubChem CID8850603
Molecular FormulaC22H30N3O3S+
Molecular Weight416.57 g/mol
Exact Mass416.20
IUPAC NameN-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-17-6-4-5-7-18(17)16-22(26)23-19-8-10-21(11-9-19)29(27,28)25(3)20-12-14-24(2)15-13-20/h4-11,20H,12-16H2,1-3H3,(H,23,26)/p+1
InChIKeyAYCUPLQLVRZFTL-UHFFFAOYSA-O
XLogP1.47
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]urea
CID 9453496
N-[4-(dipropylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17109445
N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-methylphenyl)acetamide
CID 26163250
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17109452
3-(2-chlorophenyl)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]propanamide
CID 17178988
N-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3,3,3-trifluoropropanamide
CID 71879297
N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17145886
N-[4-[methyl-(1-propylpiperidin-4-yl)sulfamoyl]phenyl]propanamide
CID 49243207
4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid
CID 1266303
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 43877406
2-(2-methylphenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 17145873
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,3-dimethylbenzamide
CID 52894118

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]-2-(2-methylphenyl)acetamide (CID 8850603) is N-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1.
What is the InChIKey of N-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]-2-(2-methylphenyl)acetamide?
The InChIKey is AYCUPLQLVRZFTL-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H29N3O3S/c1-17-6-4-5-7-18(17)16-22(26)23-19-8-10-21(11-9-19)29(27,28)25(3)20-12-14-24(2)15-13-20/h4-11,20H,12-16H2,1-3H3,(H,23,26)/p+1.
What are the key properties of N-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]-2-(2-methylphenyl)acetamide?
N-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]-2-(2-methylphenyl)acetamide has a molecular weight of 416.57 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 8850603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).