N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide

C12H13ClN2O4S2 — CID 47028971

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NC(C)c2ccc(Cl)s2)o1
InChIInChI=1S/C12H13ClN2O4S2/c1-7(9-4-5-10(13)20-9)15-12(16)8-3-6-11(19-8)21(17,18)14-2/h3-7,14H,1-2H3,(H,15,16)
InChIKeyIYHLUNQQKBFMCA-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.39
Rot. Bonds5

About N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide (PubChem CID 47028971) has the molecular formula C12H13ClN2O4S2 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
PubChem CID47028971
Molecular FormulaC12H13ClN2O4S2
Molecular Weight348.83 g/mol
Exact Mass348.00
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NC(C)c2ccc(Cl)s2)o1
InChIInChI=1S/C12H13ClN2O4S2/c1-7(9-4-5-10(13)20-9)15-12(16)8-3-6-11(19-8)21(17,18)14-2/h3-7,14H,1-2H3,(H,15,16)
InChIKeyIYHLUNQQKBFMCA-UHFFFAOYSA-N
XLogP2.39
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-5-ethylfuran-2-carboxamide
CID 42957659
N-[4-(2-methylpropanoylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 46430489
2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]butanoic acid
CID 119223928
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
5-(methylsulfamoyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]furan-2-carboxamide
CID 35265676
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide
CID 103749027
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]furan-3-carboxamide
CID 39271617
5-chloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
CID 51938203
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 119527259
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 39272941
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-methylfuran-2-carboxamide
CID 95158199

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide (CID 47028971) is N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide is CNS(=O)(=O)c1ccc(C(=O)NC(C)c2ccc(Cl)s2)o1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide?
The InChIKey is IYHLUNQQKBFMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O4S2/c1-7(9-4-5-10(13)20-9)15-12(16)8-3-6-11(19-8)21(17,18)14-2/h3-7,14H,1-2H3,(H,15,16).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide is sourced from PubChem (CID 47028971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).