(2S)-N-(2,6-difluorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C19H20F2N2O4S — CID 30127867

IUPAC(2S)-N-(2,6-difluorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C19H20F2N2O4S/c1-12-8-9-13(27-2)11-17(12)28(25,26)23-10-4-7-16(23)19(24)22-18-14(20)5-3-6-15(18)21/h3,5-6,8-9,11,16H,4,7,10H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyOZDNWGCZWZDVSI-INIZCTEOSA-N
MW410.44 g/mol
LogP3.07
Rot. Bonds5

About (2S)-N-(2,6-difluorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide

(2S)-N-(2,6-difluorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 30127867) has the molecular formula C19H20F2N2O4S and a molecular weight of 410.44 g/mol. Its IUPAC name is (2S)-N-(2,6-difluorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,6-difluorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID30127867
Molecular FormulaC19H20F2N2O4S
Molecular Weight410.44 g/mol
Exact Mass410.11
IUPAC Name(2S)-N-(2,6-difluorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C19H20F2N2O4S/c1-12-8-9-13(27-2)11-17(12)28(25,26)23-10-4-7-16(23)19(24)22-18-14(20)5-3-6-15(18)21/h3,5-6,8-9,11,16H,4,7,10H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyOZDNWGCZWZDVSI-INIZCTEOSA-N
XLogP3.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(5-methoxy-2-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 30127874
N-tert-butyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43888288
(2R)-N-tert-butyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30127642
(2R)-1-(5-methoxy-2-methylphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide
CID 30127788
(2R)-N-(2,4-dichlorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30127843
dimethyl 5-[[1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzene-1,3-dicarboxylate
CID 43888424
1-(5-methoxy-2-methylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide
CID 43888284
(2R)-1-(5-methoxy-2-methylphenyl)sulfonyl-N-(2-phenylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 30128117
(2S)-N-benzhydryl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30128206
1-(5-methoxy-2-methylphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 43888306
[4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 30128027
(2R)-1-(5-methoxy-2-methylphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 30128088

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,6-difluorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2,6-difluorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 30127867) is (2S)-N-(2,6-difluorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,6-difluorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2,6-difluorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide is COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2c(F)cccc2F)c1.
What is the InChIKey of (2S)-N-(2,6-difluorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is OZDNWGCZWZDVSI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20F2N2O4S/c1-12-8-9-13(27-2)11-17(12)28(25,26)23-10-4-7-16(23)19(24)22-18-14(20)5-3-6-15(18)21/h3,5-6,8-9,11,16H,4,7,10H2,1-2H3,(H,22,24)/t16-/m0/s1.
What are the key properties of (2S)-N-(2,6-difluorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
(2S)-N-(2,6-difluorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 410.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,6-difluorophenyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 30127867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).