4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide

C27H37N3O3S — CID 92874906

IUPAC4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
SMILESCC1CCN(c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2S(=O)(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C27H37N3O3S/c1-20-11-15-29(16-12-20)25-10-9-24(27(31)28-22(3)23-7-5-4-6-8-23)19-26(25)34(32,33)30-17-13-21(2)14-18-30/h4-10,19-22H,11-18H2,1-3H3,(H,28,31)/t22-/m1/s1
InChIKeyPEPFDOAPFNBBPR-JOCHJYFZSA-N
MW483.68 g/mol
LogP4.83
Rot. Bonds6

About 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide

4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 92874906) has the molecular formula C27H37N3O3S and a molecular weight of 483.68 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
PubChem CID92874906
Molecular FormulaC27H37N3O3S
Molecular Weight483.68 g/mol
Exact Mass483.26
IUPAC Name4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
SMILESCC1CCN(c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2S(=O)(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C27H37N3O3S/c1-20-11-15-29(16-12-20)25-10-9-24(27(31)28-22(3)23-7-5-4-6-8-23)19-26(25)34(32,33)30-17-13-21(2)14-18-30/h4-10,19-22H,11-18H2,1-3H3,(H,28,31)/t22-/m1/s1
InChIKeyPEPFDOAPFNBBPR-JOCHJYFZSA-N
XLogP4.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.68
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 1041096
N-butyl-4-[(phenylsulfonyl)amino]benzamide
CID 2224401
3-[(dimethylamino)sulfonyl]-N-{2-[(4-methyl-1-piperidinyl)carbonyl]phenyl}benzamide
CID 992258
4-(Benzenesulfonyl-methyl-amino)-N-cyclopentyl-benzamide
CID 1106330
N-benzyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 2315073
N-cyclopentyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2358978
3-(4-benzylpiperazine-1-carbonyl)-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 2438347
N-cyclopropyl-4-[(phenylsulfonyl)amino]benzamide
CID 2983266
N-(1-benzylpiperidin-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 4783068
4-methyl-3-[(4-methyl-1-piperazinyl)sulfonyl]-N-phenylbenzamide
CID 6461347

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide (CID 92874906) is 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide is CC1CCN(c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2S(=O)(=O)N2CCC(C)CC2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is PEPFDOAPFNBBPR-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H37N3O3S/c1-20-11-15-29(16-12-20)25-10-9-24(27(31)28-22(3)23-7-5-4-6-8-23)19-26(25)34(32,33)30-17-13-21(2)14-18-30/h4-10,19-22H,11-18H2,1-3H3,(H,28,31)/t22-/m1/s1.
What are the key properties of 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide?
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 483.68 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 92874906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).