N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-(phenylsulfamoyl)benzamide

C21H27N3O3S — CID 118720903

IUPACN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-(phenylsulfamoyl)benzamide
SMILESCN1CCC(CN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C21H27N3O3S/c1-23-14-12-17(13-15-23)16-24(2)21(25)18-8-10-20(11-9-18)28(26,27)22-19-6-4-3-5-7-19/h3-11,17,22H,12-16H2,1-2H3
InChIKeyIADPZBONWBWIJL-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.90
Rot. Bonds6

About N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-(phenylsulfamoyl)benzamide

N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-(phenylsulfamoyl)benzamide (PubChem CID 118720903) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-(phenylsulfamoyl)benzamide
PubChem CID118720903
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-(phenylsulfamoyl)benzamide
SMILESCN1CCC(CN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C21H27N3O3S/c1-23-14-12-17(13-15-23)16-24(2)21(25)18-8-10-20(11-9-18)28(26,27)22-19-6-4-3-5-7-19/h3-11,17,22H,12-16H2,1-2H3
InChIKeyIADPZBONWBWIJL-UHFFFAOYSA-N
XLogP2.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[[methyl-[4-(phenylsulfamoyl)benzoyl]amino]methyl]piperidine-1-carboxylate
CID 118720901
4-[(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 97317013
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
4-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63236434
N-(cyclohexylmethyl)-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 43057461
4-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63274929
4-isocyano-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 123896887
N-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide
CID 9368880
N-[(1-phenylpyrrolidin-3-yl)methyl]-4-(phenylsulfamoyl)benzamide
CID 46403235
6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 63235015
N-methyl-N-(3-phenoxypropyl)-4-(phenylsulfamoyl)benzamide
CID 38579965
4-(benzenesulfonamido)-N-cyclohexyl-N-methylbenzamide
CID 28567343

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-(phenylsulfamoyl)benzamide?
The IUPAC name of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-(phenylsulfamoyl)benzamide (CID 118720903) is N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-(phenylsulfamoyl)benzamide is CN1CCC(CN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1.
What is the InChIKey of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-(phenylsulfamoyl)benzamide?
The InChIKey is IADPZBONWBWIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-23-14-12-17(13-15-23)16-24(2)21(25)18-8-10-20(11-9-18)28(26,27)22-19-6-4-3-5-7-19/h3-11,17,22H,12-16H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-(phenylsulfamoyl)benzamide?
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-(phenylsulfamoyl)benzamide has a molecular weight of 401.53 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 118720903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).