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

C28H41N3O5S2 — CID 46108494

IUPACN-benzyl-N-(1-benzylsulfonylpiperidin-4-yl)-2-[2-methylpropyl(propylsulfonyl)amino]acetamide
SMILESCCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)CC(C)C
InChIInChI=1S/C28H41N3O5S2/c1-4-19-37(33,34)30(20-24(2)3)22-28(32)31(21-25-11-7-5-8-12-25)27-15-17-29(18-16-27)38(35,36)23-26-13-9-6-10-14-26/h5-14,24,27H,4,15-23H2,1-3H3
InChIKeyPALNMOATMVUGMA-UHFFFAOYSA-N
MW563.79 g/mol
LogP3.71
Rot. Bonds13

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

N-benzyl-N-(1-benzylsulfonylpiperidin-4-yl)-2-[2-methylpropyl(propylsulfonyl)amino]acetamide (PubChem CID 46108494) has the molecular formula C28H41N3O5S2 and a molecular weight of 563.79 g/mol. Its IUPAC name is N-benzyl-N-(1-benzylsulfonylpiperidin-4-yl)-2-[2-methylpropyl(propylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-(1-benzylsulfonylpiperidin-4-yl)-2-[2-methylpropyl(propylsulfonyl)amino]acetamide
PubChem CID46108494
Molecular FormulaC28H41N3O5S2
Molecular Weight563.79 g/mol
Exact Mass563.25
IUPAC NameN-benzyl-N-(1-benzylsulfonylpiperidin-4-yl)-2-[2-methylpropyl(propylsulfonyl)amino]acetamide
SMILESCCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)CC(C)C
InChIInChI=1S/C28H41N3O5S2/c1-4-19-37(33,34)30(20-24(2)3)22-28(32)31(21-25-11-7-5-8-12-25)27-15-17-29(18-16-27)38(35,36)23-26-13-9-6-10-14-26/h5-14,24,27H,4,15-23H2,1-3H3
InChIKeyPALNMOATMVUGMA-UHFFFAOYSA-N
XLogP3.71
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.79
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-(cyclobutanecarbonyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide
CID 46108298
2-[ethylsulfonyl(2-methylpropyl)amino]-N-(1-ethylsulfonylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 46108642
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-[(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
N-[(3-chlorophenyl)methyl]-2-[2-methoxyethyl(propylsulfonyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 46108949

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-benzylsulfonylpiperidin-4-yl)-2-[2-methylpropyl(propylsulfonyl)amino]acetamide?
The IUPAC name of N-benzyl-N-(1-benzylsulfonylpiperidin-4-yl)-2-[2-methylpropyl(propylsulfonyl)amino]acetamide (CID 46108494) is N-benzyl-N-(1-benzylsulfonylpiperidin-4-yl)-2-[2-methylpropyl(propylsulfonyl)amino]acetamide.
What is the SMILES notation for N-benzyl-N-(1-benzylsulfonylpiperidin-4-yl)-2-[2-methylpropyl(propylsulfonyl)amino]acetamide?
The canonical SMILES for N-benzyl-N-(1-benzylsulfonylpiperidin-4-yl)-2-[2-methylpropyl(propylsulfonyl)amino]acetamide is CCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)CC(C)C.
What is the InChIKey of N-benzyl-N-(1-benzylsulfonylpiperidin-4-yl)-2-[2-methylpropyl(propylsulfonyl)amino]acetamide?
The InChIKey is PALNMOATMVUGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O5S2/c1-4-19-37(33,34)30(20-24(2)3)22-28(32)31(21-25-11-7-5-8-12-25)27-15-17-29(18-16-27)38(35,36)23-26-13-9-6-10-14-26/h5-14,24,27H,4,15-23H2,1-3H3.
What are the key properties of N-benzyl-N-(1-benzylsulfonylpiperidin-4-yl)-2-[2-methylpropyl(propylsulfonyl)amino]acetamide?
N-benzyl-N-(1-benzylsulfonylpiperidin-4-yl)-2-[2-methylpropyl(propylsulfonyl)amino]acetamide has a molecular weight of 563.79 g/mol, XLogP of 3.71, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-benzylsulfonylpiperidin-4-yl)-2-[2-methylpropyl(propylsulfonyl)amino]acetamide is sourced from PubChem (CID 46108494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).