N-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide

C17H19NO4S — CID 39972148

IUPACN-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C17H19NO4S/c1-18(12-13-7-9-15(22-2)10-8-13)17(19)14-5-4-6-16(11-14)23(3,20)21/h4-11H,12H2,1-3H3
InChIKeyHHVQZNIVINKGDE-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.37
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide

N-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide (PubChem CID 39972148) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide
PubChem CID39972148
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C17H19NO4S/c1-18(12-13-7-9-15(22-2)10-8-13)17(19)14-5-4-6-16(11-14)23(3,20)21/h4-11H,12H2,1-3H3
InChIKeyHHVQZNIVINKGDE-UHFFFAOYSA-N
XLogP2.37
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide
CID 18111551
N-[(4-methoxyphenyl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26250316
3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 59836606
N-methyl-3-methylsulfonyl-N-(thiophen-3-ylmethyl)benzamide
CID 18117252
N-(2-methoxyethyl)-N-methyl-3-methylsulfonylbenzamide
CID 69372704
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-methylsulfonylbenzamide
CID 26826251
3-(methanesulfonamido)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 18117006
N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylsulfonylbenzamide
CID 51317141
2-[methyl-(3-methylsulfonylbenzoyl)amino]acetic acid
CID 16777539
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 26731707
N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 86975589

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide (CID 39972148) is N-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide is COc1ccc(CN(C)C(=O)c2cccc(S(C)(=O)=O)c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide?
The InChIKey is HHVQZNIVINKGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-18(12-13-7-9-15(22-2)10-8-13)17(19)14-5-4-6-16(11-14)23(3,20)21/h4-11H,12H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide?
N-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide has a molecular weight of 333.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide is sourced from PubChem (CID 39972148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).