N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide

C20H20N2O5S — CID 2231275

IUPACN-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1
InChIInChI=1S/C20H20N2O5S/c1-22(28(24,25)19-11-9-17(26-2)10-12-19)16-7-5-15(6-8-16)20(23)21-14-18-4-3-13-27-18/h3-13H,14H2,1-2H3,(H,21,23)
InChIKeySXBXLNHUOVBUKS-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.04
Rot. Bonds7

About N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide

N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide (PubChem CID 2231275) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
PubChem CID2231275
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC NameN-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1
InChIInChI=1S/C20H20N2O5S/c1-22(28(24,25)19-11-9-17(26-2)10-12-19)16-7-5-15(6-8-16)20(23)21-14-18-4-3-13-27-18/h3-13H,14H2,1-2H3,(H,21,23)
InChIKeySXBXLNHUOVBUKS-UHFFFAOYSA-N
XLogP3.04
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.04
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)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide (CID 2231275) is N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide is COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The InChIKey is SXBXLNHUOVBUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-22(28(24,25)19-11-9-17(26-2)10-12-19)16-7-5-15(6-8-16)20(23)21-14-18-4-3-13-27-18/h3-13H,14H2,1-2H3,(H,21,23).
What are the key properties of N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide has a molecular weight of 400.46 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide is sourced from PubChem (CID 2231275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).