N-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoylfuran-2-carboxamide

C15H18N2O6S — CID 84575585

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoylfuran-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(S(N)(=O)=O)o2)cc1OC
InChIInChI=1S/C15H18N2O6S/c1-21-11-4-3-10(9-13(11)22-2)7-8-17-15(18)12-5-6-14(23-12)24(16,19)20/h3-6,9H,7-8H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyAEQVEQBYCKEWOV-UHFFFAOYSA-N
MW354.38 g/mol
LogP0.92
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoylfuran-2-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoylfuran-2-carboxamide (PubChem CID 84575585) has the molecular formula C15H18N2O6S and a molecular weight of 354.38 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoylfuran-2-carboxamide
PubChem CID84575585
Molecular FormulaC15H18N2O6S
Molecular Weight354.38 g/mol
Exact Mass354.09
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoylfuran-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(S(N)(=O)=O)o2)cc1OC
InChIInChI=1S/C15H18N2O6S/c1-21-11-4-3-10(9-13(11)22-2)7-8-17-15(18)12-5-6-14(23-12)24(16,19)20/h3-6,9H,7-8H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyAEQVEQBYCKEWOV-UHFFFAOYSA-N
XLogP0.92
TPSA120.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-chlorophenyl)sulfonylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 4104667
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802444
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide
CID 16906942
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414041
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119263813
5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3,4-trimethylbenzamide
CID 4730559
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 3252059
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2250640
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoylfuran-2-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoylfuran-2-carboxamide (CID 84575585) is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoylfuran-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoylfuran-2-carboxamide is COc1ccc(CCNC(=O)c2ccc(S(N)(=O)=O)o2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoylfuran-2-carboxamide?
The InChIKey is AEQVEQBYCKEWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6S/c1-21-11-4-3-10(9-13(11)22-2)7-8-17-15(18)12-5-6-14(23-12)24(16,19)20/h3-6,9H,7-8H2,1-2H3,(H,17,18)(H2,16,19,20).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoylfuran-2-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoylfuran-2-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-sulfamoylfuran-2-carboxamide is sourced from PubChem (CID 84575585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).