N-(ethylaminomethyl)-5-methylsulfonylfuran-2-carboxamide

C9H14N2O4S — CID 167081500

IUPACN-(ethylaminomethyl)-5-methylsulfonylfuran-2-carboxamide
SMILESCCNCNC(=O)c1ccc(S(C)(=O)=O)o1
InChIInChI=1S/C9H14N2O4S/c1-3-10-6-11-9(12)7-4-5-8(15-7)16(2,13)14/h4-5,10H,3,6H2,1-2H3,(H,11,12)
InChIKeyKCKPHZIFPSDYEP-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.02
Rot. Bonds5

About N-(ethylaminomethyl)-5-methylsulfonylfuran-2-carboxamide

N-(ethylaminomethyl)-5-methylsulfonylfuran-2-carboxamide (PubChem CID 167081500) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is N-(ethylaminomethyl)-5-methylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(ethylaminomethyl)-5-methylsulfonylfuran-2-carboxamide
PubChem CID167081500
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC NameN-(ethylaminomethyl)-5-methylsulfonylfuran-2-carboxamide
SMILESCCNCNC(=O)c1ccc(S(C)(=O)=O)o1
InChIInChI=1S/C9H14N2O4S/c1-3-10-6-11-9(12)7-4-5-8(15-7)16(2,13)14/h4-5,10H,3,6H2,1-2H3,(H,11,12)
InChIKeyKCKPHZIFPSDYEP-UHFFFAOYSA-N
XLogP-0.02
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-methyl-5-methylsulfonylfuran-2-carboxamide
CID 126970956
N-(2-methylsulfanylethyl)-5-methylsulfonylfuran-2-carboxamide
CID 86944148
N-[2-(ethylamino)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 119509422
N-(4-acetamidophenyl)-5-methylsulfonylfuran-2-carboxamide
CID 155412686
N-[2-(4-bromoanilino)-2-oxoethyl]-5-methylsulfonylfuran-2-carboxamide
CID 86944389
N-butyl-5-sulfamoylfuran-2-carboxamide
CID 47175951
5-chloro-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119508521
N-(2-methylpropyl)-5-sulfamoylfuran-2-carboxamide
CID 47318772
5-bromo-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119505166
5-(ethylsulfamoyl)furan-2-carboxylic acid
CID 43149834
N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-5-methylsulfonylfuran-2-carboxamide
CID 86944356
N-[2-(dimethylamino)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 110476323

Frequently Asked Questions

What is the IUPAC name of N-(ethylaminomethyl)-5-methylsulfonylfuran-2-carboxamide?
The IUPAC name of N-(ethylaminomethyl)-5-methylsulfonylfuran-2-carboxamide (CID 167081500) is N-(ethylaminomethyl)-5-methylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-(ethylaminomethyl)-5-methylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-(ethylaminomethyl)-5-methylsulfonylfuran-2-carboxamide is CCNCNC(=O)c1ccc(S(C)(=O)=O)o1.
What is the InChIKey of N-(ethylaminomethyl)-5-methylsulfonylfuran-2-carboxamide?
The InChIKey is KCKPHZIFPSDYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S/c1-3-10-6-11-9(12)7-4-5-8(15-7)16(2,13)14/h4-5,10H,3,6H2,1-2H3,(H,11,12).
What are the key properties of N-(ethylaminomethyl)-5-methylsulfonylfuran-2-carboxamide?
N-(ethylaminomethyl)-5-methylsulfonylfuran-2-carboxamide has a molecular weight of 246.29 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylaminomethyl)-5-methylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 167081500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).