5-cyclopropyl-N-cyclopropylsulfonyl-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide

C22H30FNO4S — CID 86703750

IUPAC5-cyclopropyl-N-cyclopropylsulfonyl-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide
SMILESCC1CCCC(C)C1COc1cc(F)c(C(=O)NS(=O)(=O)C2CC2)cc1C1CC1
InChIInChI=1S/C22H30FNO4S/c1-13-4-3-5-14(2)19(13)12-28-21-11-20(23)18(10-17(21)15-6-7-15)22(25)24-29(26,27)16-8-9-16/h10-11,13-16,19H,3-9,12H2,1-2H3,(H,24,25)
InChIKeyWGXQEXKKMPCWNT-UHFFFAOYSA-N
MW423.55 g/mol
LogP4.38
Rot. Bonds7

About 5-cyclopropyl-N-cyclopropylsulfonyl-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide

5-cyclopropyl-N-cyclopropylsulfonyl-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide (PubChem CID 86703750) has the molecular formula C22H30FNO4S and a molecular weight of 423.55 g/mol. Its IUPAC name is 5-cyclopropyl-N-cyclopropylsulfonyl-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide.

Molecular Properties

Compound Name5-cyclopropyl-N-cyclopropylsulfonyl-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide
PubChem CID86703750
Molecular FormulaC22H30FNO4S
Molecular Weight423.55 g/mol
Exact Mass423.19
IUPAC Name5-cyclopropyl-N-cyclopropylsulfonyl-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide
SMILESCC1CCCC(C)C1COc1cc(F)c(C(=O)NS(=O)(=O)C2CC2)cc1C1CC1
InChIInChI=1S/C22H30FNO4S/c1-13-4-3-5-14(2)19(13)12-28-21-11-20(23)18(10-17(21)15-6-7-15)22(25)24-29(26,27)16-8-9-16/h10-11,13-16,19H,3-9,12H2,1-2H3,(H,24,25)
InChIKeyWGXQEXKKMPCWNT-UHFFFAOYSA-N
XLogP4.38
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.55
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-cyclopropylsulfonyl-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide?
The IUPAC name of 5-cyclopropyl-N-cyclopropylsulfonyl-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide (CID 86703750) is 5-cyclopropyl-N-cyclopropylsulfonyl-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide.
What is the SMILES notation for 5-cyclopropyl-N-cyclopropylsulfonyl-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide?
The canonical SMILES for 5-cyclopropyl-N-cyclopropylsulfonyl-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide is CC1CCCC(C)C1COc1cc(F)c(C(=O)NS(=O)(=O)C2CC2)cc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-cyclopropylsulfonyl-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide?
The InChIKey is WGXQEXKKMPCWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FNO4S/c1-13-4-3-5-14(2)19(13)12-28-21-11-20(23)18(10-17(21)15-6-7-15)22(25)24-29(26,27)16-8-9-16/h10-11,13-16,19H,3-9,12H2,1-2H3,(H,24,25).
What are the key properties of 5-cyclopropyl-N-cyclopropylsulfonyl-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide?
5-cyclopropyl-N-cyclopropylsulfonyl-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide has a molecular weight of 423.55 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-cyclopropylsulfonyl-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide is sourced from PubChem (CID 86703750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).