(2S)-3-(4-phenylphenyl)sulfonyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-1,3-thiazolidine-2-carboxamide

C28H25N3O3S2 — CID 10152528

IUPAC(2S)-3-(4-phenylphenyl)sulfonyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-1,3-thiazolidine-2-carboxamide
SMILESO=C(N[C@H](c1ccccc1)c1ccccn1)[C@@H]1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H25N3O3S2/c32-27(30-26(23-11-5-2-6-12-23)25-13-7-8-18-29-25)28-31(19-20-35-28)36(33,34)24-16-14-22(15-17-24)21-9-3-1-4-10-21/h1-18,26,28H,19-20H2,(H,30,32)/t26-,28+/m1/s1
InChIKeyLSSZZFZFFKZTCL-IAPPQJPRSA-N
MW515.66 g/mol
LogP4.72
Rot. Bonds7

About (2S)-3-(4-phenylphenyl)sulfonyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-1,3-thiazolidine-2-carboxamide

(2S)-3-(4-phenylphenyl)sulfonyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-1,3-thiazolidine-2-carboxamide (PubChem CID 10152528) has the molecular formula C28H25N3O3S2 and a molecular weight of 515.66 g/mol. Its IUPAC name is (2S)-3-(4-phenylphenyl)sulfonyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-1,3-thiazolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-3-(4-phenylphenyl)sulfonyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-1,3-thiazolidine-2-carboxamide
PubChem CID10152528
Molecular FormulaC28H25N3O3S2
Molecular Weight515.66 g/mol
Exact Mass515.13
IUPAC Name(2S)-3-(4-phenylphenyl)sulfonyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-1,3-thiazolidine-2-carboxamide
SMILESO=C(N[C@H](c1ccccc1)c1ccccn1)[C@@H]1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H25N3O3S2/c32-27(30-26(23-11-5-2-6-12-23)25-13-7-8-18-29-25)28-31(19-20-35-28)36(33,34)24-16-14-22(15-17-24)21-9-3-1-4-10-21/h1-18,26,28H,19-20H2,(H,30,32)/t26-,28+/m1/s1
InChIKeyLSSZZFZFFKZTCL-IAPPQJPRSA-N
XLogP4.72
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.66
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-phenylphenyl)sulfonyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-1,3-thiazolidine-2-carboxamide?
The IUPAC name of (2S)-3-(4-phenylphenyl)sulfonyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-1,3-thiazolidine-2-carboxamide (CID 10152528) is (2S)-3-(4-phenylphenyl)sulfonyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-1,3-thiazolidine-2-carboxamide.
What is the SMILES notation for (2S)-3-(4-phenylphenyl)sulfonyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-1,3-thiazolidine-2-carboxamide?
The canonical SMILES for (2S)-3-(4-phenylphenyl)sulfonyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-1,3-thiazolidine-2-carboxamide is O=C(N[C@H](c1ccccc1)c1ccccn1)[C@@H]1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S)-3-(4-phenylphenyl)sulfonyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-1,3-thiazolidine-2-carboxamide?
The InChIKey is LSSZZFZFFKZTCL-IAPPQJPRSA-N. The full InChI is InChI=1S/C28H25N3O3S2/c32-27(30-26(23-11-5-2-6-12-23)25-13-7-8-18-29-25)28-31(19-20-35-28)36(33,34)24-16-14-22(15-17-24)21-9-3-1-4-10-21/h1-18,26,28H,19-20H2,(H,30,32)/t26-,28+/m1/s1.
What are the key properties of (2S)-3-(4-phenylphenyl)sulfonyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-1,3-thiazolidine-2-carboxamide?
(2S)-3-(4-phenylphenyl)sulfonyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-1,3-thiazolidine-2-carboxamide has a molecular weight of 515.66 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-phenylphenyl)sulfonyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-1,3-thiazolidine-2-carboxamide is sourced from PubChem (CID 10152528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).