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

C15H18N2O5S — CID 1084427

IUPACN-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccco2)cc1
InChIInChI=1S/C15H18N2O5S/c1-17(11-15(18)16-10-13-4-3-9-22-13)23(19,20)14-7-5-12(21-2)6-8-14/h3-9H,10-11H2,1-2H3,(H,16,18)
InChIKeySLNJURCQCAXDCY-UHFFFAOYSA-N
MW338.39 g/mol
LogP1.23
Rot. Bonds7

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

N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide (PubChem CID 1084427) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
PubChem CID1084427
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC NameN-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccco2)cc1
InChIInChI=1S/C15H18N2O5S/c1-17(11-15(18)16-10-13-4-3-9-22-13)23(19,20)14-7-5-12(21-2)6-8-14/h3-9H,10-11H2,1-2H3,(H,16,18)
InChIKeySLNJURCQCAXDCY-UHFFFAOYSA-N
XLogP1.23
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 51.23
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-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide (CID 1084427) is N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is SLNJURCQCAXDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-17(11-15(18)16-10-13-4-3-9-22-13)23(19,20)14-7-5-12(21-2)6-8-14/h3-9H,10-11H2,1-2H3,(H,16,18).
What are the key properties of N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?
N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 338.39 g/mol, XLogP of 1.23, 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)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 1084427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).