N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide

C24H31N3O6S — CID 655743

IUPACN-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESCOc1ccccc1CN(CC(=O)NCC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H31N3O6S/c1-18-9-11-21(12-10-18)34(30,31)26-15-24(29)27(16-19-6-3-4-8-22(19)32-2)17-23(28)25-14-20-7-5-13-33-20/h3-4,6,8-12,20,26H,5,7,13-17H2,1-2H3,(H,25,28)
InChIKeyBNCKSFODLLJJSC-UHFFFAOYSA-N
MW489.59 g/mol
LogP1.61
Rot. Bonds11

About N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide

N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (PubChem CID 655743) has the molecular formula C24H31N3O6S and a molecular weight of 489.59 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
PubChem CID655743
Molecular FormulaC24H31N3O6S
Molecular Weight489.59 g/mol
Exact Mass489.19
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESCOc1ccccc1CN(CC(=O)NCC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H31N3O6S/c1-18-9-11-21(12-10-18)34(30,31)26-15-24(29)27(16-19-6-3-4-8-22(19)32-2)17-23(28)25-14-20-7-5-13-33-20/h3-4,6,8-12,20,26H,5,7,13-17H2,1-2H3,(H,25,28)
InChIKeyBNCKSFODLLJJSC-UHFFFAOYSA-N
XLogP1.61
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.59
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-[2-methoxyethyl-[(3S)-oxolan-3-yl]amino]acetamide
CID 134815547
(2S)-2-((1-(benzenesulfonyl)piperidin-4-yl)formamido)-N-((2-methoxyphenyl)methyl)propanamide
CID 17585104
2-[benzenesulfonyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 890682
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 4877419
N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-[[(3S)-oxolan-3-yl]amino]acetamide
CID 134815255
N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-[2-methoxyethyl-[(3R)-oxolan-3-yl]amino]acetamide
CID 134815337
2-[[2-[[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]amino]-2-oxoethyl]-[(3S)-oxolan-3-yl]amino]acetamide
CID 134815482
N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-[[(3R)-oxolan-3-yl]amino]acetamide
CID 134815561
2-[(2-phenoxyacetyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 4845318
2-(4-Methoxy-benzenesulfonylamino)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-N-o-tolyl-acetamide
CID 648647
N-[(4-Methoxy-benzylcarbamoyl)-methyl]-N-(tetrahydro-furan-2-ylmethyl)-2-(toluene-4-sulfonylamino)-acetamide
CID 651872
1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid 4-methoxy-benzylamide
CID 652545

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (CID 655743) is N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is COc1ccccc1CN(CC(=O)NCC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The InChIKey is BNCKSFODLLJJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O6S/c1-18-9-11-21(12-10-18)34(30,31)26-15-24(29)27(16-19-6-3-4-8-22(19)32-2)17-23(28)25-14-20-7-5-13-33-20/h3-4,6,8-12,20,26H,5,7,13-17H2,1-2H3,(H,25,28).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide has a molecular weight of 489.59 g/mol, XLogP of 1.61, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 655743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).