4-(benzenesulfonamido)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide

C26H29N3O3S — CID 24551665

IUPAC4-(benzenesulfonamido)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
SMILESCN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H29N3O3S/c1-28(20-22-10-6-7-13-25(22)29-18-8-3-9-19-29)26(30)21-14-16-23(17-15-21)27-33(31,32)24-11-4-2-5-12-24/h2,4-7,10-17,27H,3,8-9,18-20H2,1H3
InChIKeySZVPVMIFKKLVPS-UHFFFAOYSA-N
MW463.60 g/mol
LogP4.75
Rot. Bonds7

About 4-(benzenesulfonamido)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide

4-(benzenesulfonamido)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide (PubChem CID 24551665) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
PubChem CID24551665
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC Name4-(benzenesulfonamido)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
SMILESCN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H29N3O3S/c1-28(20-22-10-6-7-13-25(22)29-18-8-3-9-19-29)26(30)21-14-16-23(17-15-21)27-33(31,32)24-11-4-2-5-12-24/h2,4-7,10-17,27H,3,8-9,18-20H2,1H3
InChIKeySZVPVMIFKKLVPS-UHFFFAOYSA-N
XLogP4.75
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methanesulfonamido)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35437808
4-(azepan-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 31645452
N-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide
CID 9368880
3-(dimethylsulfamoyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 43017886
N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 22109708
3-[(2-methoxyphenyl)sulfamoyl]-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 31645506
N-[(2-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide
CID 26594107
4-(1,3-dithian-2-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 24551575
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 75484966
4-[(4-methoxyphenyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55985873
2-(benzenesulfonamido)-N-methyl-4-methylsulfanyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 55415507
3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55415889

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide (CID 24551665) is 4-(benzenesulfonamido)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide is CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide?
The InChIKey is SZVPVMIFKKLVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-28(20-22-10-6-7-13-25(22)29-18-8-3-9-19-29)26(30)21-14-16-23(17-15-21)27-33(31,32)24-11-4-2-5-12-24/h2,4-7,10-17,27H,3,8-9,18-20H2,1H3.
What are the key properties of 4-(benzenesulfonamido)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide?
4-(benzenesulfonamido)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide has a molecular weight of 463.60 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 24551665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).