N,N-dimethyl-3-[methyl-[(2-methylphenyl)methyl]sulfamoyl]benzamide

C18H22N2O3S — CID 87024621

IUPACN,N-dimethyl-3-[methyl-[(2-methylphenyl)methyl]sulfamoyl]benzamide
SMILESCc1ccccc1CN(C)S(=O)(=O)c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C18H22N2O3S/c1-14-8-5-6-9-16(14)13-20(4)24(22,23)17-11-7-10-15(12-17)18(21)19(2)3/h5-12H,13H2,1-4H3
InChIKeyLUORPEQGSNUUHS-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.52
Rot. Bonds5

About N,N-dimethyl-3-[methyl-[(2-methylphenyl)methyl]sulfamoyl]benzamide

N,N-dimethyl-3-[methyl-[(2-methylphenyl)methyl]sulfamoyl]benzamide (PubChem CID 87024621) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N,N-dimethyl-3-[methyl-[(2-methylphenyl)methyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[methyl-[(2-methylphenyl)methyl]sulfamoyl]benzamide
PubChem CID87024621
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN,N-dimethyl-3-[methyl-[(2-methylphenyl)methyl]sulfamoyl]benzamide
SMILESCc1ccccc1CN(C)S(=O)(=O)c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C18H22N2O3S/c1-14-8-5-6-9-16(14)13-20(4)24(22,23)17-11-7-10-15(12-17)18(21)19(2)3/h5-12H,13H2,1-4H3
InChIKeyLUORPEQGSNUUHS-UHFFFAOYSA-N
XLogP2.52
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[methyl-[(2-methylphenyl)methyl]sulfamoyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[methyl-[(2-methylphenyl)methyl]sulfamoyl]benzamide (CID 87024621) is N,N-dimethyl-3-[methyl-[(2-methylphenyl)methyl]sulfamoyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[methyl-[(2-methylphenyl)methyl]sulfamoyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[methyl-[(2-methylphenyl)methyl]sulfamoyl]benzamide is Cc1ccccc1CN(C)S(=O)(=O)c1cccc(C(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[methyl-[(2-methylphenyl)methyl]sulfamoyl]benzamide?
The InChIKey is LUORPEQGSNUUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14-8-5-6-9-16(14)13-20(4)24(22,23)17-11-7-10-15(12-17)18(21)19(2)3/h5-12H,13H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[methyl-[(2-methylphenyl)methyl]sulfamoyl]benzamide?
N,N-dimethyl-3-[methyl-[(2-methylphenyl)methyl]sulfamoyl]benzamide has a molecular weight of 346.45 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[methyl-[(2-methylphenyl)methyl]sulfamoyl]benzamide is sourced from PubChem (CID 87024621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).