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

C20H26N2O4S — CID 51161410

IUPAC4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccccc2C)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C20H26N2O4S/c1-14(2)21-27(24,25)19-12-16(10-11-18(19)26-5)20(23)22(4)13-17-9-7-6-8-15(17)3/h6-12,14,21H,13H2,1-5H3
InChIKeyXTJFWYNWHUAJCQ-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.96
Rot. Bonds7

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

4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 51161410) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID51161410
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccccc2C)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C20H26N2O4S/c1-14(2)21-27(24,25)19-12-16(10-11-18(19)26-5)20(23)22(4)13-17-9-7-6-8-15(17)3/h6-12,14,21H,13H2,1-5H3
InChIKeyXTJFWYNWHUAJCQ-UHFFFAOYSA-N
XLogP2.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(2-methoxyphenyl)methyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 24546681
4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38074784
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 38038012
4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 18170668
N-methyl-N-[(2-methylphenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 26558348
N-[(2-chloro-6-fluorophenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 18136776
3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 43574048
3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028026
4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 40742114
4-amino-3-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 104782446
3-(tert-butylsulfamoyl)-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbenzamide
CID 55861150
3-(cyclopropylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 51195778

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide (CID 51161410) is 4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide is COc1ccc(C(=O)N(C)Cc2ccccc2C)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is XTJFWYNWHUAJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-14(2)21-27(24,25)19-12-16(10-11-18(19)26-5)20(23)22(4)13-17-9-7-6-8-15(17)3/h6-12,14,21H,13H2,1-5H3.
What are the key properties of 4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide?
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 390.51 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 51161410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).