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

C9H13NO4S2 — CID 86944148

IUPACN-(2-methylsulfanylethyl)-5-methylsulfonylfuran-2-carboxamide
SMILESCSCCNC(=O)c1ccc(S(C)(=O)=O)o1
InChIInChI=1S/C9H13NO4S2/c1-15-6-5-10-9(11)7-3-4-8(14-7)16(2,12)13/h3-4H,5-6H2,1-2H3,(H,10,11)
InChIKeyCYRVWYLOOBQCPX-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.78
Rot. Bonds5

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

N-(2-methylsulfanylethyl)-5-methylsulfonylfuran-2-carboxamide (PubChem CID 86944148) has the molecular formula C9H13NO4S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-5-methylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-5-methylsulfonylfuran-2-carboxamide
PubChem CID86944148
Molecular FormulaC9H13NO4S2
Molecular Weight263.34 g/mol
Exact Mass263.03
IUPAC NameN-(2-methylsulfanylethyl)-5-methylsulfonylfuran-2-carboxamide
SMILESCSCCNC(=O)c1ccc(S(C)(=O)=O)o1
InChIInChI=1S/C9H13NO4S2/c1-15-6-5-10-9(11)7-3-4-8(14-7)16(2,12)13/h3-4H,5-6H2,1-2H3,(H,10,11)
InChIKeyCYRVWYLOOBQCPX-UHFFFAOYSA-N
XLogP0.78
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(ethylaminomethyl)-5-methylsulfonylfuran-2-carboxamide
CID 167081500
N-methyl-5-methylsulfonylfuran-2-carboxamide
CID 126970956
2-[2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241802
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
N-[2-(ethylamino)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 119509422
N-[2-(dimethylamino)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 110476323
5-(methylsulfamoyl)-N-(3,3,3-trifluoropropyl)furan-2-carboxamide
CID 112527770
N-[2-(3-hydroxypropylsulfanyl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 103800603
N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-5-methylsulfonylfuran-2-carboxamide
CID 86944356
2-[2-[(5-methylsulfanylfuran-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241464

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-5-methylsulfonylfuran-2-carboxamide?
The IUPAC name of N-(2-methylsulfanylethyl)-5-methylsulfonylfuran-2-carboxamide (CID 86944148) is N-(2-methylsulfanylethyl)-5-methylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylethyl)-5-methylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-(2-methylsulfanylethyl)-5-methylsulfonylfuran-2-carboxamide is CSCCNC(=O)c1ccc(S(C)(=O)=O)o1.
What is the InChIKey of N-(2-methylsulfanylethyl)-5-methylsulfonylfuran-2-carboxamide?
The InChIKey is CYRVWYLOOBQCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S2/c1-15-6-5-10-9(11)7-3-4-8(14-7)16(2,12)13/h3-4H,5-6H2,1-2H3,(H,10,11).
What are the key properties of N-(2-methylsulfanylethyl)-5-methylsulfonylfuran-2-carboxamide?
N-(2-methylsulfanylethyl)-5-methylsulfonylfuran-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-5-methylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 86944148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).