(2S,4R)-4-[(2-fluorophenyl)sulfonylamino]-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide

C25H26F4N6O4S2 — CID 168872901

IUPAC(2S,4R)-4-[(2-fluorophenyl)sulfonylamino]-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
SMILESCc1nc(NC(=O)N2C[C@H](NS(=O)(=O)c3ccccc3F)C[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1
InChIInChI=1S/C25H26F4N6O4S2/c1-13-20(14-8-9-31-19(10-14)24(2,3)25(27,28)29)40-22(32-13)33-23(37)35-12-15(11-17(35)21(30)36)34-41(38,39)18-7-5-4-6-16(18)26/h4-10,15,17,34H,11-12H2,1-3H3,(H2,30,36)(H,32,33,37)/t15-,17+/m1/s1
InChIKeyRXPMELCQAKKERJ-WBVHZDCISA-N
MW614.65 g/mol
LogP3.93
Rot. Bonds7

About (2S,4R)-4-[(2-fluorophenyl)sulfonylamino]-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide

(2S,4R)-4-[(2-fluorophenyl)sulfonylamino]-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide (PubChem CID 168872901) has the molecular formula C25H26F4N6O4S2 and a molecular weight of 614.65 g/mol. Its IUPAC name is (2S,4R)-4-[(2-fluorophenyl)sulfonylamino]-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S,4R)-4-[(2-fluorophenyl)sulfonylamino]-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
PubChem CID168872901
Molecular FormulaC25H26F4N6O4S2
Molecular Weight614.65 g/mol
Exact Mass614.14
IUPAC Name(2S,4R)-4-[(2-fluorophenyl)sulfonylamino]-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
SMILESCc1nc(NC(=O)N2C[C@H](NS(=O)(=O)c3ccccc3F)C[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1
InChIInChI=1S/C25H26F4N6O4S2/c1-13-20(14-8-9-31-19(10-14)24(2,3)25(27,28)29)40-22(32-13)33-23(37)35-12-15(11-17(35)21(30)36)34-41(38,39)18-7-5-4-6-16(18)26/h4-10,15,17,34H,11-12H2,1-3H3,(H2,30,36)(H,32,33,37)/t15-,17+/m1/s1
InChIKeyRXPMELCQAKKERJ-WBVHZDCISA-N
XLogP3.93
TPSA147.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500614.65
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2S,4R)-4-[(2-fluorophenyl)sulfonylamino]-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide with MolForge

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Related Compounds

(2S,4R)-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]-4-(quinolin-3-ylsulfonylamino)pyrrolidine-1,2-dicarboxamide
CID 168872909
(2S,4R)-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]-4-(1,3-thiazol-2-ylsulfonylamino)pyrrolidine-1,2-dicarboxamide
CID 168872875
(2S,4R)-4-[(3-methoxyphenyl)sulfonylamino]-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 168872925
(2S,4R)-4-benzamido-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 168872870
(2S,4R)-4-[(2,3-difluorophenyl)methoxy]-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 168872918
(2S,4R)-2-carbamothioyl-4-fluoro-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 176912097
2-carbamothioyl-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 171535071
3,3-dimethyl-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 75306311
1-N-[4-methyl-5-[2-(1,1,1,2-tetrafluoropropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 146697209
2-formyl-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 163812256
2-methyl-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 74836055
(2S,4R)-1-N-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 42646248

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[(2-fluorophenyl)sulfonylamino]-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S,4R)-4-[(2-fluorophenyl)sulfonylamino]-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide (CID 168872901) is (2S,4R)-4-[(2-fluorophenyl)sulfonylamino]-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S,4R)-4-[(2-fluorophenyl)sulfonylamino]-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S,4R)-4-[(2-fluorophenyl)sulfonylamino]-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide is Cc1nc(NC(=O)N2C[C@H](NS(=O)(=O)c3ccccc3F)C[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1.
What is the InChIKey of (2S,4R)-4-[(2-fluorophenyl)sulfonylamino]-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is RXPMELCQAKKERJ-WBVHZDCISA-N. The full InChI is InChI=1S/C25H26F4N6O4S2/c1-13-20(14-8-9-31-19(10-14)24(2,3)25(27,28)29)40-22(32-13)33-23(37)35-12-15(11-17(35)21(30)36)34-41(38,39)18-7-5-4-6-16(18)26/h4-10,15,17,34H,11-12H2,1-3H3,(H2,30,36)(H,32,33,37)/t15-,17+/m1/s1.
What are the key properties of (2S,4R)-4-[(2-fluorophenyl)sulfonylamino]-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
(2S,4R)-4-[(2-fluorophenyl)sulfonylamino]-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 614.65 g/mol, XLogP of 3.93, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[(2-fluorophenyl)sulfonylamino]-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 168872901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).