N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[propan-2-yl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

C23H34N2O5S — CID 4274303

IUPACN-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[propan-2-yl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCOCCN(Cc1ccc(C)o1)C(=O)CN(C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C23H34N2O5S/c1-16(2)25(31(27,28)23-18(4)12-17(3)13-19(23)5)15-22(26)24(10-11-29-7)14-21-9-8-20(6)30-21/h8-9,12-13,16H,10-11,14-15H2,1-7H3
InChIKeyGOXNMDZMYGPJNT-UHFFFAOYSA-N
MW450.60 g/mol
LogP3.59
Rot. Bonds10

About N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[propan-2-yl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[propan-2-yl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (PubChem CID 4274303) has the molecular formula C23H34N2O5S and a molecular weight of 450.60 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[propan-2-yl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[propan-2-yl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
PubChem CID4274303
Molecular FormulaC23H34N2O5S
Molecular Weight450.60 g/mol
Exact Mass450.22
IUPAC NameN-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[propan-2-yl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCOCCN(Cc1ccc(C)o1)C(=O)CN(C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C23H34N2O5S/c1-16(2)25(31(27,28)23-18(4)12-17(3)13-19(23)5)15-22(26)24(10-11-29-7)14-21-9-8-20(6)30-21/h8-9,12-13,16H,10-11,14-15H2,1-7H3
InChIKeyGOXNMDZMYGPJNT-UHFFFAOYSA-N
XLogP3.59
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.60
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[2-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide
CID 5138156
4-bromo-N-[2-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 3982062
N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 42773278
1-(2-methoxyethyl)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 4238686
2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 4030296
N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 3970624
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-chloro-N-(2-methoxyethyl)propanamide
CID 42773072
N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 5142066
methyl (2S)-2-[2-methoxyethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]amino]propanoate
CID 7360740
3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea
CID 3882072
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 4300601
methyl 4-methyl-3-[(5-methylfuran-2-yl)methyl-propan-2-ylsulfamoyl]benzoate
CID 55819331

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[propan-2-yl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[propan-2-yl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (CID 4274303) is N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[propan-2-yl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[propan-2-yl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[propan-2-yl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is COCCN(Cc1ccc(C)o1)C(=O)CN(C(C)C)S(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[propan-2-yl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The InChIKey is GOXNMDZMYGPJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O5S/c1-16(2)25(31(27,28)23-18(4)12-17(3)13-19(23)5)15-22(26)24(10-11-29-7)14-21-9-8-20(6)30-21/h8-9,12-13,16H,10-11,14-15H2,1-7H3.
What are the key properties of N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[propan-2-yl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[propan-2-yl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide has a molecular weight of 450.60 g/mol, XLogP of 3.59, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[propan-2-yl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 4274303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).