methyl 3-[(4-acetamidophenyl)sulfonylamino]-4-methylthiophene-2-carboxylate

C15H16N2O5S2 — CID 2808335

IUPACmethyl 3-[(4-acetamidophenyl)sulfonylamino]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H16N2O5S2/c1-9-8-23-14(15(19)22-3)13(9)17-24(20,21)12-6-4-11(5-7-12)16-10(2)18/h4-8,17H,1-3H3,(H,16,18)
InChIKeyBUESFBAONSVXBM-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.60
Rot. Bonds5

About methyl 3-[(4-acetamidophenyl)sulfonylamino]-4-methylthiophene-2-carboxylate

methyl 3-[(4-acetamidophenyl)sulfonylamino]-4-methylthiophene-2-carboxylate (PubChem CID 2808335) has the molecular formula C15H16N2O5S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is methyl 3-[(4-acetamidophenyl)sulfonylamino]-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-acetamidophenyl)sulfonylamino]-4-methylthiophene-2-carboxylate
PubChem CID2808335
Molecular FormulaC15H16N2O5S2
Molecular Weight368.44 g/mol
Exact Mass368.05
IUPAC Namemethyl 3-[(4-acetamidophenyl)sulfonylamino]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H16N2O5S2/c1-9-8-23-14(15(19)22-3)13(9)17-24(20,21)12-6-4-11(5-7-12)16-10(2)18/h4-8,17H,1-3H3,(H,16,18)
InChIKeyBUESFBAONSVXBM-UHFFFAOYSA-N
XLogP2.60
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-acetamidophenyl)sulfonylamino]-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-acetamidophenyl)sulfonylamino]-4-methylthiophene-2-carboxylate (CID 2808335) is methyl 3-[(4-acetamidophenyl)sulfonylamino]-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-acetamidophenyl)sulfonylamino]-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-acetamidophenyl)sulfonylamino]-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of methyl 3-[(4-acetamidophenyl)sulfonylamino]-4-methylthiophene-2-carboxylate?
The InChIKey is BUESFBAONSVXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S2/c1-9-8-23-14(15(19)22-3)13(9)17-24(20,21)12-6-4-11(5-7-12)16-10(2)18/h4-8,17H,1-3H3,(H,16,18).
What are the key properties of methyl 3-[(4-acetamidophenyl)sulfonylamino]-4-methylthiophene-2-carboxylate?
methyl 3-[(4-acetamidophenyl)sulfonylamino]-4-methylthiophene-2-carboxylate has a molecular weight of 368.44 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-acetamidophenyl)sulfonylamino]-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 2808335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).