[2-(2-acetylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate

C15H14N2O7S — CID 55643937

IUPAC[2-(2-acetylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C15H14N2O7S/c1-9(18)10-4-2-3-5-11(10)17-13(19)8-23-15(20)12-6-7-14(24-12)25(16,21)22/h2-7H,8H2,1H3,(H,17,19)(H2,16,21,22)
InChIKeyNAECXGIPMJSPGM-UHFFFAOYSA-N
MW366.35 g/mol
LogP0.93
Rot. Bonds6

About [2-(2-acetylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate

[2-(2-acetylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate (PubChem CID 55643937) has the molecular formula C15H14N2O7S and a molecular weight of 366.35 g/mol. Its IUPAC name is [2-(2-acetylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-(2-acetylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
PubChem CID55643937
Molecular FormulaC15H14N2O7S
Molecular Weight366.35 g/mol
Exact Mass366.05
IUPAC Name[2-(2-acetylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C15H14N2O7S/c1-9(18)10-4-2-3-5-11(10)17-13(19)8-23-15(20)12-6-7-14(24-12)25(16,21)22/h2-7H,8H2,1H3,(H,17,19)(H2,16,21,22)
InChIKeyNAECXGIPMJSPGM-UHFFFAOYSA-N
XLogP0.93
TPSA145.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643941
[2-(2-acetylanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 2619832
[2-(4-methylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 46426057
[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643701
[2-(4-methoxyanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55644085
[2-(2-acetylanilino)-2-oxoethyl] 4-methylsulfonylbenzoate
CID 2670960
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55644024
phenacyl 5-sulfamoylfuran-2-carboxylate
CID 46426116
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2530916
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55644003
[2-(2-acetylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18123172
[2-(2-acetylanilino)-2-oxoethyl] pyridine-4-carboxylate
CID 2408217

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate (CID 55643937) is [2-(2-acetylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate.
What is the SMILES notation for [2-(2-acetylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The canonical SMILES for [2-(2-acetylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate is CC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(S(N)(=O)=O)o1.
What is the InChIKey of [2-(2-acetylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The InChIKey is NAECXGIPMJSPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O7S/c1-9(18)10-4-2-3-5-11(10)17-13(19)8-23-15(20)12-6-7-14(24-12)25(16,21)22/h2-7H,8H2,1H3,(H,17,19)(H2,16,21,22).
What are the key properties of [2-(2-acetylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
[2-(2-acetylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate has a molecular weight of 366.35 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate is sourced from PubChem (CID 55643937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).