N-(furan-2-ylmethyl)-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide

C18H17NO4S — CID 2099188

IUPACN-(furan-2-ylmethyl)-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)c(O)c1
InChIInChI=1S/C18H17NO4S/c1-22-13-6-7-16(17(20)10-13)18(21)19(11-14-4-2-8-23-14)12-15-5-3-9-24-15/h2-10,20H,11-12H2,1H3
InChIKeyYTFYXARWJIEOJV-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.90
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide

N-(furan-2-ylmethyl)-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 2099188) has the molecular formula C18H17NO4S and a molecular weight of 343.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
PubChem CID2099188
Molecular FormulaC18H17NO4S
Molecular Weight343.40 g/mol
Exact Mass343.09
IUPAC NameN-(furan-2-ylmethyl)-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)c(O)c1
InChIInChI=1S/C18H17NO4S/c1-22-13-6-7-16(17(20)10-13)18(21)19(11-14-4-2-8-23-14)12-15-5-3-9-24-15/h2-10,20H,11-12H2,1H3
InChIKeyYTFYXARWJIEOJV-UHFFFAOYSA-N
XLogP3.90
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Furan-2-ylmethyl)-3-hydroxy-4-(thiophene-2-carbonyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2(5H)-one
CID 2934026
(E)-4-(2-hydroxy-4-methoxyphenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]-4-oxo-N-(thiophen-2-ylmethyl)but-2-enamide
CID 5770958
(E)-1-[2-hydroxy-4-(3-methylbut-2-enoxy)-3-(morpholin-4-ylmethyl)phenyl]-3-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 44578592
(E)-1-[2-hydroxy-5-(morpholin-4-ylmethyl)-4-propan-2-yloxyphenyl]-3-thiophen-2-ylprop-2-en-1-one
CID 44578675
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one
CID 164613784
2,4-dimethoxy-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 9507988
N-[(Furan-2-YL)methyl]-4-(propan-2-yloxy)-N-[(thiophen-2-YL)methyl]benzamide
CID 16014245
(E)-1-[2-hydroxy-3-(morpholin-4-ylmethyl)-4-propan-2-yloxyphenyl]-3-thiophen-2-ylprop-2-en-1-one
CID 44578547
(E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 44578632
(E)-1-[2-hydroxy-4-methoxy-5-(morpholin-4-ylmethyl)phenyl]-3-thiophen-2-ylprop-2-en-1-one
CID 44578673
(4Z)-1-(furan-2-ylmethyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 5389236
1-(2-furylmethyl)-3-hydroxy-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-5-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one
CID 5771714

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide (CID 2099188) is N-(furan-2-ylmethyl)-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide is COc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)c(O)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is YTFYXARWJIEOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S/c1-22-13-6-7-16(17(20)10-13)18(21)19(11-14-4-2-8-23-14)12-15-5-3-9-24-15/h2-10,20H,11-12H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide?
N-(furan-2-ylmethyl)-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 343.40 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 2099188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).