N-(2-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide

C18H22N2O3S — CID 109062702

IUPACN-(2-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
SMILESCc1ccccc1NC(=O)c1cccc(S(=O)(=O)NCC(C)C)c1
InChIInChI=1S/C18H22N2O3S/c1-13(2)12-19-24(22,23)16-9-6-8-15(11-16)18(21)20-17-10-5-4-7-14(17)3/h4-11,13,19H,12H2,1-3H3,(H,20,21)
InChIKeyFEVUAQYZXLFPHX-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.18
Rot. Bonds6

About N-(2-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide

N-(2-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide (PubChem CID 109062702) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
PubChem CID109062702
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(2-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
SMILESCc1ccccc1NC(=O)c1cccc(S(=O)(=O)NCC(C)C)c1
InChIInChI=1S/C18H22N2O3S/c1-13(2)12-19-24(22,23)16-9-6-8-15(11-16)18(21)20-17-10-5-4-7-14(17)3/h4-11,13,19H,12H2,1-3H3,(H,20,21)
InChIKeyFEVUAQYZXLFPHX-UHFFFAOYSA-N
XLogP3.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[3-(2-methylpropylsulfamoyl)benzoyl]amino]benzoate
CID 109062752
N-(4-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062704
N-(2-methylphenyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109064636
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(2-methylphenyl)benzamide
CID 109065704
3-[(3-methyloxetan-3-yl)methylsulfamoyl]-N-(2-methylphenyl)benzamide
CID 72858763
3-(benzenesulfonamido)-N-(2-methylphenyl)benzamide
CID 9341944
N-(4-tert-butylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062723
N-(2,6-dimethylphenyl)-3-(3-methylbutylsulfamoyl)benzamide
CID 109065274
3-(dimethylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 2221549
3-(3-methylbutylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 109065280
N-(2,3-dimethylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26538375
3-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 109062826

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide?
The IUPAC name of N-(2-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide (CID 109062702) is N-(2-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide?
The canonical SMILES for N-(2-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide is Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)NCC(C)C)c1.
What is the InChIKey of N-(2-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide?
The InChIKey is FEVUAQYZXLFPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13(2)12-19-24(22,23)16-9-6-8-15(11-16)18(21)20-17-10-5-4-7-14(17)3/h4-11,13,19H,12H2,1-3H3,(H,20,21).
What are the key properties of N-(2-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide?
N-(2-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide has a molecular weight of 346.45 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide is sourced from PubChem (CID 109062702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).