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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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).