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

C26H41N3O4S — CID 46108298

IUPACN-benzyl-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide
SMILESCCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)C2CCC2)CC1)CC(C)C
InChIInChI=1S/C26H41N3O4S/c1-4-17-34(32,33)28(18-21(2)3)20-25(30)29(19-22-9-6-5-7-10-22)24-13-15-27(16-14-24)26(31)23-11-8-12-23/h5-7,9-10,21,23-24H,4,8,11-20H2,1-3H3
InChIKeyZMDSJUCYLMOYMF-UHFFFAOYSA-N
MW491.70 g/mol
LogP3.50
Rot. Bonds11

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

N-benzyl-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide (PubChem CID 46108298) has the molecular formula C26H41N3O4S and a molecular weight of 491.70 g/mol. Its IUPAC name is N-benzyl-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide
PubChem CID46108298
Molecular FormulaC26H41N3O4S
Molecular Weight491.70 g/mol
Exact Mass491.28
IUPAC NameN-benzyl-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide
SMILESCCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)C2CCC2)CC1)CC(C)C
InChIInChI=1S/C26H41N3O4S/c1-4-17-34(32,33)28(18-21(2)3)20-25(30)29(19-22-9-6-5-7-10-22)24-13-15-27(16-14-24)26(31)23-11-8-12-23/h5-7,9-10,21,23-24H,4,8,11-20H2,1-3H3
InChIKeyZMDSJUCYLMOYMF-UHFFFAOYSA-N
XLogP3.50
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.70
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[2-methylpropyl(propylsulfonyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 46108496
N-benzyl-N-(1-benzylsulfonylpiperidin-4-yl)-2-[2-methylpropyl(propylsulfonyl)amino]acetamide
CID 46108494
N-benzyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide
CID 46108294
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-(1-ethylsulfonylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 46108642
2-[ethylsulfonyl(2-methylpropyl)amino]-N-[(4-methylphenyl)methyl]-N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]acetamide
CID 46108570
2-[benzenesulfonyl(propyl)amino]-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 46108517
N-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-2-[ethylsulfonyl(2-methylpropyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 46108565
N-[1-(2-ethylhexanoyl)piperidin-4-yl]-2-[ethylsulfonyl(2-methylpropyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 42880648
N-[1-[(2R)-2-chloropropanoyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[propyl(propylsulfonyl)amino]acetamide
CID 93016440
N-[1-(2-methylbenzoyl)piperidin-4-yl]-2-[3-methylbutyl(propylsulfonyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 46108129

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide?
The IUPAC name of N-benzyl-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide (CID 46108298) is N-benzyl-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide.
What is the SMILES notation for N-benzyl-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide?
The canonical SMILES for N-benzyl-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide is CCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)C2CCC2)CC1)CC(C)C.
What is the InChIKey of N-benzyl-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide?
The InChIKey is ZMDSJUCYLMOYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O4S/c1-4-17-34(32,33)28(18-21(2)3)20-25(30)29(19-22-9-6-5-7-10-22)24-13-15-27(16-14-24)26(31)23-11-8-12-23/h5-7,9-10,21,23-24H,4,8,11-20H2,1-3H3.
What are the key properties of N-benzyl-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide?
N-benzyl-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide has a molecular weight of 491.70 g/mol, XLogP of 3.50, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide is sourced from PubChem (CID 46108298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).