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

C22H29N3O3S — CID 53278728

IUPAC4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NC3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C22H29N3O3S/c1-17-4-10-21(11-5-17)29(27,28)25(3)16-18-6-8-19(9-7-18)22(26)23-20-12-14-24(2)15-13-20/h4-11,20H,12-16H2,1-3H3,(H,23,26)
InChIKeyJBMPWQIXTBSDLD-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.64
Rot. Bonds6

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

4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 53278728) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID53278728
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NC3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C22H29N3O3S/c1-17-4-10-21(11-5-17)29(27,28)25(3)16-18-6-8-19(9-7-18)22(26)23-20-12-14-24(2)15-13-20/h4-11,20H,12-16H2,1-3H3,(H,23,26)
InChIKeyJBMPWQIXTBSDLD-UHFFFAOYSA-N
XLogP2.64
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278727
4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278776
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide
CID 53279690
4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide
CID 95933789
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278671
4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 3937488
N-[[4-[[(2,6-difluorobenzoyl)amino]carbamoyl]phenyl]methyl]-N,4-dimethylbenzenesulfonamide
CID 2379105
N,4-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
CID 53278764
N-cyclopropyl-4-[methyl-[(3-methyl-4-pyridinyl)methyl]sulfamoyl]benzamide
CID 70774144
4-[dimethylsulfamoyl(methyl)amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278389
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzamide
CID 11929134
4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-phenylethyl)benzamide
CID 132666915

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide (CID 53278728) is 4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide is Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NC3CCN(C)CC3)cc2)cc1.
What is the InChIKey of 4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is JBMPWQIXTBSDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-17-4-10-21(11-5-17)29(27,28)25(3)16-18-6-8-19(9-7-18)22(26)23-20-12-14-24(2)15-13-20/h4-11,20H,12-16H2,1-3H3,(H,23,26).
What are the key properties of 4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide?
4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 415.56 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 53278728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).