5-(cyclopropylmethylsulfonyl)-N-(4-fluorophenyl)-2-methoxybenzamide

C18H18FNO4S — CID 146735128

IUPAC5-(cyclopropylmethylsulfonyl)-N-(4-fluorophenyl)-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)CC2CC2)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H18FNO4S/c1-24-17-9-8-15(25(22,23)11-12-2-3-12)10-16(17)18(21)20-14-6-4-13(19)5-7-14/h4-10,12H,2-3,11H2,1H3,(H,20,21)
InChIKeyRJABJOHWZOMACM-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.27
Rot. Bonds6

About 5-(cyclopropylmethylsulfonyl)-N-(4-fluorophenyl)-2-methoxybenzamide

5-(cyclopropylmethylsulfonyl)-N-(4-fluorophenyl)-2-methoxybenzamide (PubChem CID 146735128) has the molecular formula C18H18FNO4S and a molecular weight of 363.41 g/mol. Its IUPAC name is 5-(cyclopropylmethylsulfonyl)-N-(4-fluorophenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-(cyclopropylmethylsulfonyl)-N-(4-fluorophenyl)-2-methoxybenzamide
PubChem CID146735128
Molecular FormulaC18H18FNO4S
Molecular Weight363.41 g/mol
Exact Mass363.09
IUPAC Name5-(cyclopropylmethylsulfonyl)-N-(4-fluorophenyl)-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)CC2CC2)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H18FNO4S/c1-24-17-9-8-15(25(22,23)11-12-2-3-12)10-16(17)18(21)20-14-6-4-13(19)5-7-14/h4-10,12H,2-3,11H2,1H3,(H,20,21)
InChIKeyRJABJOHWZOMACM-UHFFFAOYSA-N
XLogP3.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethylsulfonyl)-N-(4-fluorophenyl)-2-methoxybenzamide?
The IUPAC name of 5-(cyclopropylmethylsulfonyl)-N-(4-fluorophenyl)-2-methoxybenzamide (CID 146735128) is 5-(cyclopropylmethylsulfonyl)-N-(4-fluorophenyl)-2-methoxybenzamide.
What is the SMILES notation for 5-(cyclopropylmethylsulfonyl)-N-(4-fluorophenyl)-2-methoxybenzamide?
The canonical SMILES for 5-(cyclopropylmethylsulfonyl)-N-(4-fluorophenyl)-2-methoxybenzamide is COc1ccc(S(=O)(=O)CC2CC2)cc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 5-(cyclopropylmethylsulfonyl)-N-(4-fluorophenyl)-2-methoxybenzamide?
The InChIKey is RJABJOHWZOMACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4S/c1-24-17-9-8-15(25(22,23)11-12-2-3-12)10-16(17)18(21)20-14-6-4-13(19)5-7-14/h4-10,12H,2-3,11H2,1H3,(H,20,21).
What are the key properties of 5-(cyclopropylmethylsulfonyl)-N-(4-fluorophenyl)-2-methoxybenzamide?
5-(cyclopropylmethylsulfonyl)-N-(4-fluorophenyl)-2-methoxybenzamide has a molecular weight of 363.41 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethylsulfonyl)-N-(4-fluorophenyl)-2-methoxybenzamide is sourced from PubChem (CID 146735128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).