[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate

C16H18N2O6S — CID 55644024

IUPAC[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
SMILESCc1ccccc1CCNC(=O)COC(=O)c1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C16H18N2O6S/c1-11-4-2-3-5-12(11)8-9-18-14(19)10-23-16(20)13-6-7-15(24-13)25(17,21)22/h2-7H,8-10H2,1H3,(H,18,19)(H2,17,21,22)
InChIKeyHCDLHLWJIDBQPM-UHFFFAOYSA-N
MW366.40 g/mol
LogP0.75
Rot. Bonds7

About [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate

[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate (PubChem CID 55644024) has the molecular formula C16H18N2O6S and a molecular weight of 366.40 g/mol. Its IUPAC name is [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
PubChem CID55644024
Molecular FormulaC16H18N2O6S
Molecular Weight366.40 g/mol
Exact Mass366.09
IUPAC Name[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
SMILESCc1ccccc1CCNC(=O)COC(=O)c1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C16H18N2O6S/c1-11-4-2-3-5-12(11)8-9-18-14(19)10-23-16(20)13-6-7-15(24-13)25(17,21)22/h2-7H,8-10H2,1H3,(H,18,19)(H2,17,21,22)
InChIKeyHCDLHLWJIDBQPM-UHFFFAOYSA-N
XLogP0.75
TPSA128.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643918
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 9492099
[2-(4-methylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 46426057
[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643961
[2-(2-acetylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643937
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2,6-difluorobenzoate
CID 9203338
phenacyl 5-sulfamoylfuran-2-carboxylate
CID 46426116
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197497
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 9007208
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 8806754
[2-(4-methoxyanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55644085
methyl 5-sulfamoylfuran-2-carboxylate
CID 3146896

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The IUPAC name of [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate (CID 55644024) is [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate.
What is the SMILES notation for [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The canonical SMILES for [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate is Cc1ccccc1CCNC(=O)COC(=O)c1ccc(S(N)(=O)=O)o1.
What is the InChIKey of [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The InChIKey is HCDLHLWJIDBQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S/c1-11-4-2-3-5-12(11)8-9-18-14(19)10-23-16(20)13-6-7-15(24-13)25(17,21)22/h2-7H,8-10H2,1H3,(H,18,19)(H2,17,21,22).
What are the key properties of [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate has a molecular weight of 366.40 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate is sourced from PubChem (CID 55644024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).