N-benzyl-2-[2-methylpropyl(propylsulfonyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)acetamide

C22H37N3O5S2 — CID 46108496

IUPACN-benzyl-2-[2-methylpropyl(propylsulfonyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)acetamide
SMILESCCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)C1CCN(S(C)(=O)=O)CC1)CC(C)C
InChIInChI=1S/C22H37N3O5S2/c1-5-15-32(29,30)24(16-19(2)3)18-22(26)25(17-20-9-7-6-8-10-20)21-11-13-23(14-12-21)31(4,27)28/h6-10,19,21H,5,11-18H2,1-4H3
InChIKeyWCNMFDPMBDEFRI-UHFFFAOYSA-N
MW487.69 g/mol
LogP2.14
Rot. Bonds11

About N-benzyl-2-[2-methylpropyl(propylsulfonyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)acetamide

N-benzyl-2-[2-methylpropyl(propylsulfonyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)acetamide (PubChem CID 46108496) has the molecular formula C22H37N3O5S2 and a molecular weight of 487.69 g/mol. Its IUPAC name is N-benzyl-2-[2-methylpropyl(propylsulfonyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-methylpropyl(propylsulfonyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)acetamide
PubChem CID46108496
Molecular FormulaC22H37N3O5S2
Molecular Weight487.69 g/mol
Exact Mass487.22
IUPAC NameN-benzyl-2-[2-methylpropyl(propylsulfonyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)acetamide
SMILESCCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)C1CCN(S(C)(=O)=O)CC1)CC(C)C
InChIInChI=1S/C22H37N3O5S2/c1-5-15-32(29,30)24(16-19(2)3)18-22(26)25(17-20-9-7-6-8-10-20)21-11-13-23(14-12-21)31(4,27)28/h6-10,19,21H,5,11-18H2,1-4H3
InChIKeyWCNMFDPMBDEFRI-UHFFFAOYSA-N
XLogP2.14
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.69
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-[2-methylpropyl(propylsulfonyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)acetamide 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-benzyl-N-(1-benzylsulfonylpiperidin-4-yl)-2-[2-methylpropyl(propylsulfonyl)amino]acetamide
CID 46108494
N-benzyl-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide
CID 46108298
N-benzyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide
CID 46108294
2-[ethylsulfonyl(2-methylpropyl)amino]-N-(1-ethylsulfonylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 46108642
N-[(3-chlorophenyl)methyl]-2-[2-methoxyethyl(propylsulfonyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 46108949
4-[[2-[ethylsulfonyl(2-methylpropyl)amino]acetyl]-[(4-methylphenyl)methyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 46108588
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylacetyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide
CID 42880687
2-[ethylsulfonyl(2-methylpropyl)amino]-N-[(4-methylphenyl)methyl]-N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]acetamide
CID 46108570
N-[1-(2-ethylhexanoyl)piperidin-4-yl]-2-[ethylsulfonyl(2-methylpropyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 42880648
N-[1-(2-methylbenzoyl)piperidin-4-yl]-2-[3-methylbutyl(propylsulfonyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 46108129
N-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-2-[ethylsulfonyl(2-methylpropyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 46108565
N-[1-[(2R)-2-chloropropanoyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[propyl(propylsulfonyl)amino]acetamide
CID 93016440

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-methylpropyl(propylsulfonyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The IUPAC name of N-benzyl-2-[2-methylpropyl(propylsulfonyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)acetamide (CID 46108496) is N-benzyl-2-[2-methylpropyl(propylsulfonyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-benzyl-2-[2-methylpropyl(propylsulfonyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The canonical SMILES for N-benzyl-2-[2-methylpropyl(propylsulfonyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)acetamide is CCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)C1CCN(S(C)(=O)=O)CC1)CC(C)C.
What is the InChIKey of N-benzyl-2-[2-methylpropyl(propylsulfonyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The InChIKey is WCNMFDPMBDEFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O5S2/c1-5-15-32(29,30)24(16-19(2)3)18-22(26)25(17-20-9-7-6-8-10-20)21-11-13-23(14-12-21)31(4,27)28/h6-10,19,21H,5,11-18H2,1-4H3.
What are the key properties of N-benzyl-2-[2-methylpropyl(propylsulfonyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
N-benzyl-2-[2-methylpropyl(propylsulfonyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)acetamide has a molecular weight of 487.69 g/mol, XLogP of 2.14, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-methylpropyl(propylsulfonyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)acetamide is sourced from PubChem (CID 46108496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).