N-[(2R)-1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide

C28H33N3O3S — CID 27046935

IUPACN-[(2R)-1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(N([C@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C28H33N3O3S/c1-22-14-16-26(17-15-22)31(35(3,33)34)23(2)28(32)30-20-18-29(19-21-30)27(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-17,23,27H,18-21H2,1-3H3/t23-/m1/s1
InChIKeyKQTJARXIWYGTKY-HSZRJFAPSA-N
MW491.66 g/mol
LogP4.08
Rot. Bonds7

About N-[(2R)-1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide

N-[(2R)-1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide (PubChem CID 27046935) has the molecular formula C28H33N3O3S and a molecular weight of 491.66 g/mol. Its IUPAC name is N-[(2R)-1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide
PubChem CID27046935
Molecular FormulaC28H33N3O3S
Molecular Weight491.66 g/mol
Exact Mass491.22
IUPAC NameN-[(2R)-1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(N([C@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C28H33N3O3S/c1-22-14-16-26(17-15-22)31(35(3,33)34)23(2)28(32)30-20-18-29(19-21-30)27(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-17,23,27H,18-21H2,1-3H3/t23-/m1/s1
InChIKeyKQTJARXIWYGTKY-HSZRJFAPSA-N
XLogP4.08
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.66
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide 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-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide
CID 2967691
N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide
CID 1252806
N-[(2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-N-phenylmethanesulfonamide
CID 6576966
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylethyl]propanamide
CID 124549731
N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide
CID 1077619
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N-(4-phenoxyphenyl)methanesulfonamide
CID 2929151
N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide
CID 1076298
N-[(2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide
CID 6964838
N-(3-methylphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]methanesulfonamide
CID 95119028
N-(4-chlorophenyl)-N-[(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 42561130
N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-chlorophenyl)methanesulfonamide
CID 2240774
N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-N-phenylmethanesulfonamide
CID 1163329

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(2R)-1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide (CID 27046935) is N-[(2R)-1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(2R)-1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(2R)-1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide is Cc1ccc(N([C@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[(2R)-1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide?
The InChIKey is KQTJARXIWYGTKY-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H33N3O3S/c1-22-14-16-26(17-15-22)31(35(3,33)34)23(2)28(32)30-20-18-29(19-21-30)27(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-17,23,27H,18-21H2,1-3H3/t23-/m1/s1.
What are the key properties of N-[(2R)-1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide?
N-[(2R)-1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide has a molecular weight of 491.66 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 27046935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).