3,4-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-(methylsulfamoyl)benzamide

C17H22N2O4S — CID 31001991

IUPAC3,4-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(C)o2)cc(C)c1C
InChIInChI=1S/C17H22N2O4S/c1-10-8-14(9-16(12(10)3)24(21,22)18-5)17(20)19-13(4)15-7-6-11(2)23-15/h6-9,13,18H,1-5H3,(H,19,20)/t13-/m1/s1
InChIKeyUIIZATGTMKFAAX-CYBMUJFWSA-N
MW350.44 g/mol
LogP2.60
Rot. Bonds5

About 3,4-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-(methylsulfamoyl)benzamide

3,4-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-(methylsulfamoyl)benzamide (PubChem CID 31001991) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-(methylsulfamoyl)benzamide
PubChem CID31001991
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name3,4-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(C)o2)cc(C)c1C
InChIInChI=1S/C17H22N2O4S/c1-10-8-14(9-16(12(10)3)24(21,22)18-5)17(20)19-13(4)15-7-6-11(2)23-15/h6-9,13,18H,1-5H3,(H,19,20)/t13-/m1/s1
InChIKeyUIIZATGTMKFAAX-CYBMUJFWSA-N
XLogP2.60
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-5-(methylsulfamoyl)-N-propan-2-ylbenzamide
CID 27648157
N-[1-(4-ethylphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 46520353
N-[1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 17472832
N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 26001159
4-hydroxy-3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 103951699
3,4-dimethyl-N-[(2S)-6-methylheptan-2-yl]-5-(methylsulfamoyl)benzamide
CID 32648511
3,5-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46443441
3,5-difluoro-4-(methylamino)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 63185216
4-(tert-butylsulfamoyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51314571
N-(2-hydroxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 78856270
3-fluoro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51232444
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 47026743

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-(methylsulfamoyl)benzamide?
The IUPAC name of 3,4-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-(methylsulfamoyl)benzamide (CID 31001991) is 3,4-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-(methylsulfamoyl)benzamide?
The canonical SMILES for 3,4-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(C)o2)cc(C)c1C.
What is the InChIKey of 3,4-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-(methylsulfamoyl)benzamide?
The InChIKey is UIIZATGTMKFAAX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-10-8-14(9-16(12(10)3)24(21,22)18-5)17(20)19-13(4)15-7-6-11(2)23-15/h6-9,13,18H,1-5H3,(H,19,20)/t13-/m1/s1.
What are the key properties of 3,4-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-(methylsulfamoyl)benzamide?
3,4-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-(methylsulfamoyl)benzamide has a molecular weight of 350.44 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 31001991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).