3-(methanesulfonamido)-4-piperazin-1-yl-N-[(4-propan-2-ylphenyl)methyl]benzamide

C22H30N4O3S — CID 46333840

IUPAC3-(methanesulfonamido)-4-piperazin-1-yl-N-[(4-propan-2-ylphenyl)methyl]benzamide
SMILESCC(C)c1ccc(CNC(=O)c2ccc(N3CCNCC3)c(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C22H30N4O3S/c1-16(2)18-6-4-17(5-7-18)15-24-22(27)19-8-9-21(26-12-10-23-11-13-26)20(14-19)25-30(3,28)29/h4-9,14,16,23,25H,10-13,15H2,1-3H3,(H,24,27)
InChIKeyRBWYSEXMMOKZPC-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.52
Rot. Bonds7

About 3-(methanesulfonamido)-4-piperazin-1-yl-N-[(4-propan-2-ylphenyl)methyl]benzamide

3-(methanesulfonamido)-4-piperazin-1-yl-N-[(4-propan-2-ylphenyl)methyl]benzamide (PubChem CID 46333840) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is 3-(methanesulfonamido)-4-piperazin-1-yl-N-[(4-propan-2-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-4-piperazin-1-yl-N-[(4-propan-2-ylphenyl)methyl]benzamide
PubChem CID46333840
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC Name3-(methanesulfonamido)-4-piperazin-1-yl-N-[(4-propan-2-ylphenyl)methyl]benzamide
SMILESCC(C)c1ccc(CNC(=O)c2ccc(N3CCNCC3)c(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C22H30N4O3S/c1-16(2)18-6-4-17(5-7-18)15-24-22(27)19-8-9-21(26-12-10-23-11-13-26)20(14-19)25-30(3,28)29/h4-9,14,16,23,25H,10-13,15H2,1-3H3,(H,24,27)
InChIKeyRBWYSEXMMOKZPC-UHFFFAOYSA-N
XLogP2.52
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(methanesulfonamido)-4-piperazin-1-yl-N-[(4-propan-2-ylphenyl)methyl]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

3-(methanesulfonamido)-N-[(3-methylphenyl)methyl]-4-piperazin-1-ylbenzamide
CID 46333797
3-(methanesulfonamido)-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 46333576
N-ethyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 46333701
3-(methanesulfonamido)-N,N-dimethyl-4-piperazin-1-ylbenzamide
CID 46333263
3-(methanesulfonamido)-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide
CID 46333521
3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)benzamide
CID 46333589
3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
CID 46333732
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]-4-piperazin-1-ylbenzamide
CID 46333799
3-[(4-chlorophenyl)carbamoylamino]-N-[(4-propan-2-ylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 46348896
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)-4-piperazin-1-ylbenzamide
CID 46333780
N-benzyl-3-[(4-methylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059297
N-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 46333828

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-4-piperazin-1-yl-N-[(4-propan-2-ylphenyl)methyl]benzamide?
The IUPAC name of 3-(methanesulfonamido)-4-piperazin-1-yl-N-[(4-propan-2-ylphenyl)methyl]benzamide (CID 46333840) is 3-(methanesulfonamido)-4-piperazin-1-yl-N-[(4-propan-2-ylphenyl)methyl]benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-4-piperazin-1-yl-N-[(4-propan-2-ylphenyl)methyl]benzamide?
The canonical SMILES for 3-(methanesulfonamido)-4-piperazin-1-yl-N-[(4-propan-2-ylphenyl)methyl]benzamide is CC(C)c1ccc(CNC(=O)c2ccc(N3CCNCC3)c(NS(C)(=O)=O)c2)cc1.
What is the InChIKey of 3-(methanesulfonamido)-4-piperazin-1-yl-N-[(4-propan-2-ylphenyl)methyl]benzamide?
The InChIKey is RBWYSEXMMOKZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-16(2)18-6-4-17(5-7-18)15-24-22(27)19-8-9-21(26-12-10-23-11-13-26)20(14-19)25-30(3,28)29/h4-9,14,16,23,25H,10-13,15H2,1-3H3,(H,24,27).
What are the key properties of 3-(methanesulfonamido)-4-piperazin-1-yl-N-[(4-propan-2-ylphenyl)methyl]benzamide?
3-(methanesulfonamido)-4-piperazin-1-yl-N-[(4-propan-2-ylphenyl)methyl]benzamide has a molecular weight of 430.57 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-4-piperazin-1-yl-N-[(4-propan-2-ylphenyl)methyl]benzamide is sourced from PubChem (CID 46333840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).