5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide

C22H25N3O4S — CID 55454491

IUPAC5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NCCN(C)c1ccccc1
InChIInChI=1S/C22H25N3O4S/c1-17-10-11-20(30(27,28)24-16-19-9-6-14-29-19)15-21(17)22(26)23-12-13-25(2)18-7-4-3-5-8-18/h3-11,14-15,24H,12-13,16H2,1-2H3,(H,23,26)
InChIKeyKVHUJUJARXMOJL-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.93
Rot. Bonds9

About 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide

5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide (PubChem CID 55454491) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide.

Molecular Properties

Compound Name5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide
PubChem CID55454491
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NCCN(C)c1ccccc1
InChIInChI=1S/C22H25N3O4S/c1-17-10-11-20(30(27,28)24-16-19-9-6-14-29-19)15-21(17)22(26)23-12-13-25(2)18-7-4-3-5-8-18/h3-11,14-15,24H,12-13,16H2,1-2H3,(H,23,26)
InChIKeyKVHUJUJARXMOJL-UHFFFAOYSA-N
XLogP2.93
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934312
3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 43002494
N-[2-(2-fluorophenyl)ethyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 31282083
3-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid
CID 119237132
methyl 6-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]hexanoate
CID 55349906
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 55506799
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 134034036
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 55628988
5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 35155749
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 78863657
3-[ethyl-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid
CID 75429428
N-[3-(1,3-benzothiazol-2-yl)propyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 38901082

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide?
The IUPAC name of 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide (CID 55454491) is 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide.
What is the SMILES notation for 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide?
The canonical SMILES for 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide is Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NCCN(C)c1ccccc1.
What is the InChIKey of 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide?
The InChIKey is KVHUJUJARXMOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-17-10-11-20(30(27,28)24-16-19-9-6-14-29-19)15-21(17)22(26)23-12-13-25(2)18-7-4-3-5-8-18/h3-11,14-15,24H,12-13,16H2,1-2H3,(H,23,26).
What are the key properties of 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide?
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide has a molecular weight of 427.53 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide is sourced from PubChem (CID 55454491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).