N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide

C21H28N2O6S — CID 38038012

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)cc1OC
InChIInChI=1S/C21H28N2O6S/c1-14(2)22-30(25,26)20-12-16(8-10-18(20)28-5)21(24)23(3)13-15-7-9-17(27-4)19(11-15)29-6/h7-12,14,22H,13H2,1-6H3
InChIKeyCGFKHPZWALAQHL-UHFFFAOYSA-N
MW436.53 g/mol
LogP2.67
Rot. Bonds9

About N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide

N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 38038012) has the molecular formula C21H28N2O6S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID38038012
Molecular FormulaC21H28N2O6S
Molecular Weight436.53 g/mol
Exact Mass436.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)cc1OC
InChIInChI=1S/C21H28N2O6S/c1-14(2)22-30(25,26)20-12-16(8-10-18(20)28-5)21(24)23(3)13-15-7-9-17(27-4)19(11-15)29-6/h7-12,14,22H,13H2,1-6H3
InChIKeyCGFKHPZWALAQHL-UHFFFAOYSA-N
XLogP2.67
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 18170668
4-methoxy-N-[(2-methoxyphenyl)methyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 24546681
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 51161410
4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38074784
N-[(2-chloro-6-fluorophenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 18136776
4-methoxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfamoyl)benzamide
CID 8966511
3-(cyclopentylsulfamoyl)-4-methoxy-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 27833083
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 26826237
N-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 26594486
N-[(3,4-dimethoxyphenyl)methyl]-4-(ethylsulfonylamino)-N-methylbenzamide
CID 92679282
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 10424874
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide
CID 18111551

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide (CID 38038012) is N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide is COc1ccc(CN(C)C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is CGFKHPZWALAQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O6S/c1-14(2)22-30(25,26)20-12-16(8-10-18(20)28-5)21(24)23(3)13-15-7-9-17(27-4)19(11-15)29-6/h7-12,14,22H,13H2,1-6H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide?
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 436.53 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 38038012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).