N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide

C21H26N2O4S — CID 24625890

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(c2ccc(C)cc2)C2CC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H26N2O4S/c1-14-5-7-15(8-6-14)20(16-9-10-16)22-21(24)17-11-12-18(27-4)19(13-17)28(25,26)23(2)3/h5-8,11-13,16,20H,9-10H2,1-4H3,(H,22,24)
InChIKeyVUQXQYSYEMIPEO-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.14
Rot. Bonds7

About N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide

N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide (PubChem CID 24625890) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
PubChem CID24625890
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(c2ccc(C)cc2)C2CC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H26N2O4S/c1-14-5-7-15(8-6-14)20(16-9-10-16)22-21(24)17-11-12-18(27-4)19(13-17)28(25,26)23(2)3/h5-8,11-13,16,20H,9-10H2,1-4H3,(H,22,24)
InChIKeyVUQXQYSYEMIPEO-UHFFFAOYSA-N
XLogP3.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)benzamide
CID 24582523
N-[cyclopropyl-(4-methylphenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 24625885
N-[cyclopropyl-(4-methylphenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 51296386
4-bromo-N-[cyclopropyl(phenyl)methyl]-3-(dimethylsulfamoyl)benzamide
CID 43037303
(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid
CID 119370205
3-(dimethylsulfamoyl)-4-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 45374027
N-[1-(4-chlorophenyl)-2-methylpropyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 24600978
3-(dimethylsulfamoyl)-4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 92517191
N-(dicyclopropylmethyl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 24620703
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 60596662
N-[(1R)-1-(1-adamantyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 51544551
3-(dimethylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 26877374

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide (CID 24625890) is N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide is COc1ccc(C(=O)NC(c2ccc(C)cc2)C2CC2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The InChIKey is VUQXQYSYEMIPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-14-5-7-15(8-6-14)20(16-9-10-16)22-21(24)17-11-12-18(27-4)19(13-17)28(25,26)23(2)3/h5-8,11-13,16,20H,9-10H2,1-4H3,(H,22,24).
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide has a molecular weight of 402.52 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 24625890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).