2-[(4-ethoxyphenyl)sulfonylmethylamino]-N-(furan-2-ylmethyl)acetamide

C16H20N2O5S — CID 21156771

IUPAC2-[(4-ethoxyphenyl)sulfonylmethylamino]-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)CNCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H20N2O5S/c1-2-22-13-5-7-15(8-6-13)24(20,21)12-17-11-16(19)18-10-14-4-3-9-23-14/h3-9,17H,2,10-12H2,1H3,(H,18,19)
InChIKeyJBMLEZICVZSUJN-UHFFFAOYSA-N
MW352.41 g/mol
LogP1.32
Rot. Bonds9

About 2-[(4-ethoxyphenyl)sulfonylmethylamino]-N-(furan-2-ylmethyl)acetamide

2-[(4-ethoxyphenyl)sulfonylmethylamino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 21156771) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)sulfonylmethylamino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)sulfonylmethylamino]-N-(furan-2-ylmethyl)acetamide
PubChem CID21156771
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name2-[(4-ethoxyphenyl)sulfonylmethylamino]-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)CNCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H20N2O5S/c1-2-22-13-5-7-15(8-6-13)24(20,21)12-17-11-16(19)18-10-14-4-3-9-23-14/h3-9,17H,2,10-12H2,1H3,(H,18,19)
InChIKeyJBMLEZICVZSUJN-UHFFFAOYSA-N
XLogP1.32
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9079933
2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 9401109
3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)propanamide
CID 19225996
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(furan-2-ylmethyl)acetamide
CID 1108097
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 1202350
2-(3-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 112977702
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 1318703
1-(4-ethoxyphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 2988575
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-propoxybenzamide
CID 18118956
N-(furan-2-ylmethyl)-2-(2-methoxyethylamino)acetamide
CID 3229603
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 4818761
2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 30039326

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)sulfonylmethylamino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-ethoxyphenyl)sulfonylmethylamino]-N-(furan-2-ylmethyl)acetamide (CID 21156771) is 2-[(4-ethoxyphenyl)sulfonylmethylamino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)sulfonylmethylamino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)sulfonylmethylamino]-N-(furan-2-ylmethyl)acetamide is CCOc1ccc(S(=O)(=O)CNCC(=O)NCc2ccco2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)sulfonylmethylamino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is JBMLEZICVZSUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-2-22-13-5-7-15(8-6-13)24(20,21)12-17-11-16(19)18-10-14-4-3-9-23-14/h3-9,17H,2,10-12H2,1H3,(H,18,19).
What are the key properties of 2-[(4-ethoxyphenyl)sulfonylmethylamino]-N-(furan-2-ylmethyl)acetamide?
2-[(4-ethoxyphenyl)sulfonylmethylamino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 352.41 g/mol, XLogP of 1.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)sulfonylmethylamino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 21156771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).