3-(benzenesulfonylmethyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide

C18H22N2O5S — CID 55466525

IUPAC3-(benzenesulfonylmethyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H22N2O5S/c1-3-19-16(21)12-20(4-2)18(22)17-14(10-11-25-17)13-26(23,24)15-8-6-5-7-9-15/h5-11H,3-4,12-13H2,1-2H3,(H,19,21)
InChIKeyZHRISUCWTAUIAK-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.85
Rot. Bonds8

About 3-(benzenesulfonylmethyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide

3-(benzenesulfonylmethyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 55466525) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
PubChem CID55466525
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name3-(benzenesulfonylmethyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H22N2O5S/c1-3-19-16(21)12-20(4-2)18(22)17-14(10-11-25-17)13-26(23,24)15-8-6-5-7-9-15/h5-11H,3-4,12-13H2,1-2H3,(H,19,21)
InChIKeyZHRISUCWTAUIAK-UHFFFAOYSA-N
XLogP1.85
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylfuran-2-carboxamide
CID 55466705
3-(benzenesulfonylmethyl)-N-butylfuran-2-carboxamide
CID 36711218
3-(benzenesulfonylmethyl)-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 51283759
ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 35726189
3-(benzenesulfonylmethyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 51133835
3-(benzenesulfonylmethyl)-N'-[2-(2-ethylphenoxy)acetyl]furan-2-carbohydrazide
CID 55466162
3-(benzenesulfonylmethyl)-N-[(3-chlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 46664583
3-(benzenesulfonylmethyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 51283662
3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide
CID 34978340
3-(benzenesulfonylmethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]furan-2-carboxamide
CID 126788090
3-(benzenesulfonylmethyl)-N-(4-methylcyclohexyl)furan-2-carboxamide
CID 51283733
3-(benzenesulfonylmethyl)-N-cyclooctylfuran-2-carboxamide
CID 51283677

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide (CID 55466525) is 3-(benzenesulfonylmethyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide is CCNC(=O)CN(CC)C(=O)c1occc1CS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is ZHRISUCWTAUIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-3-19-16(21)12-20(4-2)18(22)17-14(10-11-25-17)13-26(23,24)15-8-6-5-7-9-15/h5-11H,3-4,12-13H2,1-2H3,(H,19,21).
What are the key properties of 3-(benzenesulfonylmethyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide?
3-(benzenesulfonylmethyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 55466525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).