[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 5-methylthiophene-2-carboxylate

C15H16N2O5S2 — CID 4846848

IUPAC[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C15H16N2O5S2/c1-9-3-8-13(23-9)15(19)22-10(2)14(18)17-11-4-6-12(7-5-11)24(16,20)21/h3-8,10H,1-2H3,(H,17,18)(H2,16,20,21)
InChIKeyXYKGDCCVEQRKLR-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.89
Rot. Bonds5

About [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 5-methylthiophene-2-carboxylate

[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 5-methylthiophene-2-carboxylate (PubChem CID 4846848) has the molecular formula C15H16N2O5S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 5-methylthiophene-2-carboxylate
PubChem CID4846848
Molecular FormulaC15H16N2O5S2
Molecular Weight368.44 g/mol
Exact Mass368.05
IUPAC Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C15H16N2O5S2/c1-9-3-8-13(23-9)15(19)22-10(2)14(18)17-11-4-6-12(7-5-11)24(16,20)21/h3-8,10H,1-2H3,(H,17,18)(H2,16,20,21)
InChIKeyXYKGDCCVEQRKLR-UHFFFAOYSA-N
XLogP1.89
TPSA115.56 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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 5-methylthiophene-2-carboxylate?
The IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 5-methylthiophene-2-carboxylate (CID 4846848) is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 5-methylthiophene-2-carboxylate.
What is the SMILES notation for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 5-methylthiophene-2-carboxylate?
The canonical SMILES for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 5-methylthiophene-2-carboxylate is Cc1ccc(C(=O)OC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)s1.
What is the InChIKey of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 5-methylthiophene-2-carboxylate?
The InChIKey is XYKGDCCVEQRKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S2/c1-9-3-8-13(23-9)15(19)22-10(2)14(18)17-11-4-6-12(7-5-11)24(16,20)21/h3-8,10H,1-2H3,(H,17,18)(H2,16,20,21).
What are the key properties of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 5-methylthiophene-2-carboxylate?
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 5-methylthiophene-2-carboxylate has a molecular weight of 368.44 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 4846848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).