N-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide

C18H22N2O3S — CID 32895401

IUPACN-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
SMILESCc1ccc(CN(C)C(=O)c2cc(S(N)(=O)=O)ccc2C)c(C)c1
InChIInChI=1S/C18H22N2O3S/c1-12-5-7-15(14(3)9-12)11-20(4)18(21)17-10-16(24(19,22)23)8-6-13(17)2/h5-10H,11H2,1-4H3,(H2,19,22,23)
InChIKeyMULMUFNHEDMNFL-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.53
Rot. Bonds4

About N-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide

N-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide (PubChem CID 32895401) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
PubChem CID32895401
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
SMILESCc1ccc(CN(C)C(=O)c2cc(S(N)(=O)=O)ccc2C)c(C)c1
InChIInChI=1S/C18H22N2O3S/c1-12-5-7-15(14(3)9-12)11-20(4)18(21)17-10-16(24(19,22)23)8-6-13(17)2/h5-10H,11H2,1-4H3,(H2,19,22,23)
InChIKeyMULMUFNHEDMNFL-UHFFFAOYSA-N
XLogP2.53
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 24544465
N-[(4-tert-butylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 24546841
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 24546886
N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79763940
2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 107951738
N,2-dimethyl-N-pent-4-enyl-5-sulfamoylbenzamide
CID 115640375
2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 33045453
N-[(2,4-dimethylphenyl)methyl]-4-[methoxy(methyl)sulfamoyl]-N-methylbenzamide
CID 9228053
N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide
CID 43458074
N,2,4-trimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028537
N-[(2,4-dimethylphenyl)methyl]-2,3-difluoro-N-methylbenzamide
CID 62648755
5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 18209420

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide (CID 32895401) is N-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide is Cc1ccc(CN(C)C(=O)c2cc(S(N)(=O)=O)ccc2C)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide?
The InChIKey is MULMUFNHEDMNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12-5-7-15(14(3)9-12)11-20(4)18(21)17-10-16(24(19,22)23)8-6-13(17)2/h5-10H,11H2,1-4H3,(H2,19,22,23).
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide?
N-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide has a molecular weight of 346.45 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 32895401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).