5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-thiophen-2-ylethyl)furan-2-carboxamide

C19H19NO4S2 — CID 22554763

IUPAC5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-thiophen-2-ylethyl)furan-2-carboxamide
SMILESCOc1ccc(S(=O)Cc2ccc(C(=O)NCCc3cccs3)o2)cc1
InChIInChI=1S/C19H19NO4S2/c1-23-14-4-7-17(8-5-14)26(22)13-15-6-9-18(24-15)19(21)20-11-10-16-3-2-12-25-16/h2-9,12H,10-11,13H2,1H3,(H,20,21)
InChIKeyOWUGITVAFBFJAB-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.63
Rot. Bonds8

About 5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-thiophen-2-ylethyl)furan-2-carboxamide

5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-thiophen-2-ylethyl)furan-2-carboxamide (PubChem CID 22554763) has the molecular formula C19H19NO4S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-thiophen-2-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-thiophen-2-ylethyl)furan-2-carboxamide
PubChem CID22554763
Molecular FormulaC19H19NO4S2
Molecular Weight389.50 g/mol
Exact Mass389.08
IUPAC Name5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-thiophen-2-ylethyl)furan-2-carboxamide
SMILESCOc1ccc(S(=O)Cc2ccc(C(=O)NCCc3cccs3)o2)cc1
InChIInChI=1S/C19H19NO4S2/c1-23-14-4-7-17(8-5-14)26(22)13-15-6-9-18(24-15)19(21)20-11-10-16-3-2-12-25-16/h2-9,12H,10-11,13H2,1H3,(H,20,21)
InChIKeyOWUGITVAFBFJAB-UHFFFAOYSA-N
XLogP3.63
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554744
5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 22554751
5-[[(S)-(4-methoxyphenyl)sulfinyl]methyl]furan-2-carboxylic acid
CID 51550617
N-[(3-bromophenyl)methyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554770
5-[(4-bromophenyl)sulfinylmethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 20859545
5-(benzenesulfinylmethyl)-N-[2-(4-chlorophenyl)ethyl]furan-2-carboxamide
CID 20859472
N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554556
5-[(4-chlorophenyl)sulfinylmethyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 22554674
4-(methoxymethyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770290
2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 32969473
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512951
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135962

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-thiophen-2-ylethyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-thiophen-2-ylethyl)furan-2-carboxamide (CID 22554763) is 5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-thiophen-2-ylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-thiophen-2-ylethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-thiophen-2-ylethyl)furan-2-carboxamide is COc1ccc(S(=O)Cc2ccc(C(=O)NCCc3cccs3)o2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-thiophen-2-ylethyl)furan-2-carboxamide?
The InChIKey is OWUGITVAFBFJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S2/c1-23-14-4-7-17(8-5-14)26(22)13-15-6-9-18(24-15)19(21)20-11-10-16-3-2-12-25-16/h2-9,12H,10-11,13H2,1H3,(H,20,21).
What are the key properties of 5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-thiophen-2-ylethyl)furan-2-carboxamide?
5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-thiophen-2-ylethyl)furan-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-thiophen-2-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 22554763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).