4-(benzenesulfonamido)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide

C26H29N3O3S — CID 46482229

IUPAC4-(benzenesulfonamido)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
SMILESCc1cccc(CN2CCC(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)CC2)c1
InChIInChI=1S/C26H29N3O3S/c1-20-6-5-7-21(18-20)19-29-16-14-23(15-17-29)27-26(30)22-10-12-24(13-11-22)28-33(31,32)25-8-3-2-4-9-25/h2-13,18,23,28H,14-17,19H2,1H3,(H,27,30)
InChIKeyXUOWLSPTNYQYOS-UHFFFAOYSA-N
MW463.60 g/mol
LogP4.19
Rot. Bonds7

About 4-(benzenesulfonamido)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide

4-(benzenesulfonamido)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide (PubChem CID 46482229) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
PubChem CID46482229
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC Name4-(benzenesulfonamido)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
SMILESCc1cccc(CN2CCC(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)CC2)c1
InChIInChI=1S/C26H29N3O3S/c1-20-6-5-7-21(18-20)19-29-16-14-23(15-17-29)27-26(30)22-10-12-24(13-11-22)28-33(31,32)25-8-3-2-4-9-25/h2-13,18,23,28H,14-17,19H2,1H3,(H,27,30)
InChIKeyXUOWLSPTNYQYOS-UHFFFAOYSA-N
XLogP4.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylsulfamoyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46482213
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 55735053
3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55844142
N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 99959632
1-(benzenesulfonyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 55735445
4-(benzenesulfonamido)-N-cyclooctylbenzamide
CID 24635133
N-cyclopentyl-4-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzamide
CID 46386260
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-methylsulfonylbenzamide
CID 55745159
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-propan-2-ylsulfonylbenzamide
CID 55964244
4-(benzenesulfonamido)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 55705458

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide (CID 46482229) is 4-(benzenesulfonamido)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide is Cc1cccc(CN2CCC(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)CC2)c1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide?
The InChIKey is XUOWLSPTNYQYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-20-6-5-7-21(18-20)19-29-16-14-23(15-17-29)27-26(30)22-10-12-24(13-11-22)28-33(31,32)25-8-3-2-4-9-25/h2-13,18,23,28H,14-17,19H2,1H3,(H,27,30).
What are the key properties of 4-(benzenesulfonamido)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide?
4-(benzenesulfonamido)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide has a molecular weight of 463.60 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46482229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).