4-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide

C22H25F3N2O5S — CID 26175468

IUPAC4-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C22H25F3N2O5S/c1-3-12-32-18-9-7-16(22(23,24)25)14-17(18)26-21(28)15-6-8-19(31-2)20(13-15)33(29,30)27-10-4-5-11-27/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,26,28)
InChIKeyOOWTYAOBFMNAMA-UHFFFAOYSA-N
MW486.51 g/mol
LogP4.54
Rot. Bonds8

About 4-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide

4-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 26175468) has the molecular formula C22H25F3N2O5S and a molecular weight of 486.51 g/mol. Its IUPAC name is 4-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID26175468
Molecular FormulaC22H25F3N2O5S
Molecular Weight486.51 g/mol
Exact Mass486.14
IUPAC Name4-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C22H25F3N2O5S/c1-3-12-32-18-9-7-16(22(23,24)25)14-17(18)26-21(28)15-6-8-19(31-2)20(13-15)33(29,30)27-10-4-5-11-27/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,26,28)
InChIKeyOOWTYAOBFMNAMA-UHFFFAOYSA-N
XLogP4.54
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.51
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892199
4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26725545
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892289
3-morpholin-4-ylsulfonyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 26175483
N-(2-butoxy-5-methoxyphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 55675453
4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 27298305
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892263
4-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 26175480
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443
4-methoxy-N-(2-methylpentan-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 49366498
4-(2-methoxyethylsulfamoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 55524220
4-methoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 29409098

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 26175468) is 4-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide is CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 4-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is OOWTYAOBFMNAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O5S/c1-3-12-32-18-9-7-16(22(23,24)25)14-17(18)26-21(28)15-6-8-19(31-2)20(13-15)33(29,30)27-10-4-5-11-27/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,26,28).
What are the key properties of 4-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
4-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 486.51 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26175468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).