2-[(4-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide

C18H20N2O5S — CID 55760728

IUPAC2-[(4-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1ccco1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C18H20N2O5S/c1-24-10-8-20(12-17-3-2-9-25-17)18(21)14-26(22,23)13-16-6-4-15(11-19)5-7-16/h2-7,9H,8,10,12-14H2,1H3
InChIKeyCERFLTFMDXMRTD-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.74
Rot. Bonds9

About 2-[(4-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide

2-[(4-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide (PubChem CID 55760728) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide
PubChem CID55760728
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name2-[(4-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1ccco1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C18H20N2O5S/c1-24-10-8-20(12-17-3-2-9-25-17)18(21)14-26(22,23)13-16-6-4-15(11-19)5-7-16/h2-7,9H,8,10,12-14H2,1H3
InChIKeyCERFLTFMDXMRTD-UHFFFAOYSA-N
XLogP1.74
TPSA100.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-cyanophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide
CID 43397003
2-[benzylsulfonyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3911798
N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 32992758
N-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide
CID 37429743
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42773009
2-(3,4-dihydro-2H-chromen-6-yl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide
CID 138002194
4-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4-oxobutanamide
CID 55587760
2-[(4-cyanophenyl)methyl-(furan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 46128921
N-[(3-cyanophenyl)methyl]-2-[(4-cyanophenyl)methylsulfonyl]-N-methylacetamide
CID 55761221
ethyl 4-[[(4-cyanobenzoyl)-(furan-2-ylmethyl)amino]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 46359313
1-benzylsulfonyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 55690489
3-(4-bromophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide
CID 60567081

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(4-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide (CID 55760728) is 2-[(4-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide is COCCN(Cc1ccco1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide?
The InChIKey is CERFLTFMDXMRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-24-10-8-20(12-17-3-2-9-25-17)18(21)14-26(22,23)13-16-6-4-15(11-19)5-7-16/h2-7,9H,8,10,12-14H2,1H3.
What are the key properties of 2-[(4-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide?
2-[(4-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide has a molecular weight of 376.43 g/mol, XLogP of 1.74, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 55760728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).