2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide

C15H17ClN2O5S — CID 1148854

IUPAC2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCc2ccco2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C15H17ClN2O5S/c1-22-14-6-5-11(8-13(14)16)18(24(2,20)21)10-15(19)17-9-12-4-3-7-23-12/h3-8H,9-10H2,1-2H3,(H,17,19)
InChIKeyHOOHHEAIYAGGPH-UHFFFAOYSA-N
MW372.83 g/mol
LogP2.02
Rot. Bonds7

About 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide

2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide (PubChem CID 1148854) has the molecular formula C15H17ClN2O5S and a molecular weight of 372.83 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
PubChem CID1148854
Molecular FormulaC15H17ClN2O5S
Molecular Weight372.83 g/mol
Exact Mass372.05
IUPAC Name2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCc2ccco2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C15H17ClN2O5S/c1-22-14-6-5-11(8-13(14)16)18(24(2,20)21)10-15(19)17-9-12-4-3-7-23-12/h3-8H,9-10H2,1-2H3,(H,17,19)
InChIKeyHOOHHEAIYAGGPH-UHFFFAOYSA-N
XLogP2.02
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide (CID 1148854) is 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide is COc1ccc(N(CC(=O)NCc2ccco2)S(C)(=O)=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is HOOHHEAIYAGGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O5S/c1-22-14-6-5-11(8-13(14)16)18(24(2,20)21)10-15(19)17-9-12-4-3-7-23-12/h3-8H,9-10H2,1-2H3,(H,17,19).
What are the key properties of 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide?
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 372.83 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 1148854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).