N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-2-methylbenzamide

C15H18N2O4S — CID 110345848

IUPACN-[2-(furan-2-ylmethylsulfamoyl)ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCS(=O)(=O)NCc1ccco1
InChIInChI=1S/C15H18N2O4S/c1-12-5-2-3-7-14(12)15(18)16-8-10-22(19,20)17-11-13-6-4-9-21-13/h2-7,9,17H,8,10-11H2,1H3,(H,16,18)
InChIKeyXNIVMSIVLHUFQS-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.44
Rot. Bonds7

About N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-2-methylbenzamide

N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-2-methylbenzamide (PubChem CID 110345848) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfamoyl)ethyl]-2-methylbenzamide
PubChem CID110345848
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC NameN-[2-(furan-2-ylmethylsulfamoyl)ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCS(=O)(=O)NCc1ccco1
InChIInChI=1S/C15H18N2O4S/c1-12-5-2-3-7-14(12)15(18)16-8-10-22(19,20)17-11-13-6-4-9-21-13/h2-7,9,17H,8,10-11H2,1H3,(H,16,18)
InChIKeyXNIVMSIVLHUFQS-UHFFFAOYSA-N
XLogP1.44
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-(furan-2-ylmethylsulfamoyl)ethyl]benzamide
CID 110345851
4-chloro-N-[2-(furan-2-ylmethylsulfamoyl)ethyl]benzamide
CID 110345881
3-fluoro-N-[2-(furan-2-ylmethylsulfamoyl)ethyl]benzamide
CID 110345852
N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-3-phenylbenzamide
CID 110345892
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 55454491
N-[2-(2-fluorophenyl)ethyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 31282083
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934312
N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-phenoxybutanamide
CID 110345873
N-[4-(furan-2-ylmethylamino)phenyl]-2-methylbenzamide
CID 112981783
N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-methylbenzenesulfonamide
CID 110345911
N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide
CID 24539616
3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 43002494

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-2-methylbenzamide (CID 110345848) is N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCS(=O)(=O)NCc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-2-methylbenzamide?
The InChIKey is XNIVMSIVLHUFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-12-5-2-3-7-14(12)15(18)16-8-10-22(19,20)17-11-13-6-4-9-21-13/h2-7,9,17H,8,10-11H2,1H3,(H,16,18).
What are the key properties of N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-2-methylbenzamide?
N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-2-methylbenzamide has a molecular weight of 322.39 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 110345848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).