3-cyclopropyl-4-methoxy-N-(2-methylsulfonylphenyl)benzamide

C18H19NO4S — CID 154754687

IUPAC3-cyclopropyl-4-methoxy-N-(2-methylsulfonylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2S(C)(=O)=O)cc1C1CC1
InChIInChI=1S/C18H19NO4S/c1-23-16-10-9-13(11-14(16)12-7-8-12)18(20)19-15-5-3-4-6-17(15)24(2,21)22/h3-6,9-12H,7-8H2,1-2H3,(H,19,20)
InChIKeyJFKDAMGZIKQNTG-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.23
Rot. Bonds5

About 3-cyclopropyl-4-methoxy-N-(2-methylsulfonylphenyl)benzamide

3-cyclopropyl-4-methoxy-N-(2-methylsulfonylphenyl)benzamide (PubChem CID 154754687) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-cyclopropyl-4-methoxy-N-(2-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-cyclopropyl-4-methoxy-N-(2-methylsulfonylphenyl)benzamide
PubChem CID154754687
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name3-cyclopropyl-4-methoxy-N-(2-methylsulfonylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2S(C)(=O)=O)cc1C1CC1
InChIInChI=1S/C18H19NO4S/c1-23-16-10-9-13(11-14(16)12-7-8-12)18(20)19-15-5-3-4-6-17(15)24(2,21)22/h3-6,9-12H,7-8H2,1-2H3,(H,19,20)
InChIKeyJFKDAMGZIKQNTG-UHFFFAOYSA-N
XLogP3.23
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methylsulfonylphenyl)benzamide
CID 55535206
4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2-methylsulfonylphenyl)benzamide
CID 55474791
[2-[[1-[(2-methoxyphenyl)sulfonylamino]-2,3-dihydro-1H-indene-5-carbonyl]amino]phenyl]carbamic acid
CID 68945548
ethyl 2-[(4-methoxy-3-methylsulfonylbenzoyl)amino]benzoate
CID 110428318
methyl 3-methoxy-4-[2-(2-methylsulfonylanilino)-2-oxoethoxy]benzoate
CID 8728892
methyl N-(2-methylsulfonylphenyl)carbamate
CID 117062831
N-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 26536733
3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide
CID 55613417
2-methyl-1-methylsulfonyl-N-(2-methylsulfonylphenyl)-2,3-dihydroindole-5-carboxamide
CID 55474873
N-[2-(methanesulfonamido)phenyl]-3-methoxy-4-methylbenzamide
CID 35368704
N-[2-(dimethylsulfamoyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55985107
4-ethoxy-3-methoxy-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55817562

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-methoxy-N-(2-methylsulfonylphenyl)benzamide?
The IUPAC name of 3-cyclopropyl-4-methoxy-N-(2-methylsulfonylphenyl)benzamide (CID 154754687) is 3-cyclopropyl-4-methoxy-N-(2-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-cyclopropyl-4-methoxy-N-(2-methylsulfonylphenyl)benzamide?
The canonical SMILES for 3-cyclopropyl-4-methoxy-N-(2-methylsulfonylphenyl)benzamide is COc1ccc(C(=O)Nc2ccccc2S(C)(=O)=O)cc1C1CC1.
What is the InChIKey of 3-cyclopropyl-4-methoxy-N-(2-methylsulfonylphenyl)benzamide?
The InChIKey is JFKDAMGZIKQNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-23-16-10-9-13(11-14(16)12-7-8-12)18(20)19-15-5-3-4-6-17(15)24(2,21)22/h3-6,9-12H,7-8H2,1-2H3,(H,19,20).
What are the key properties of 3-cyclopropyl-4-methoxy-N-(2-methylsulfonylphenyl)benzamide?
3-cyclopropyl-4-methoxy-N-(2-methylsulfonylphenyl)benzamide has a molecular weight of 345.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-methoxy-N-(2-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 154754687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).