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

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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).