(2R)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-phenylbutanamide

C23H25N3O3S2 — CID 92726906

About (2R)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-phenylbutanamide

(2R)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-phenylbutanamide (PubChem CID 92726906) has the molecular formula C23H25N3O3S2 and a molecular weight of 455.61 g/mol. Its IUPAC name is (2R)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-phenylbutanamide.

Molecular Properties

• Compound Name: (2R)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-phenylbutanamide
• PubChem CID: 92726906
• Molecular Formula: C23H25N3O3S2
• Molecular Weight: 455.61 g/mol
• Exact Mass: 455.13
• IUPAC Name: (2R)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-phenylbutanamide
• SMILES: CC[C@@H](C(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(C)cc1)CC2)c1ccccc1
• InChI: InChI=1S/C23H25N3O3S2/c1-3-19(17-7-5-4-6-8-17)22(27)25-23-24-20-13-14-26(15-21(20)30-23)31(28,29)18-11-9-16(2)10-12-18/h4-12,19H,3,13-15H2,1-2H3,(H,24,25,27)/t19-/m1/s1
• InChIKey: XIJWKSQOZIHCBK-LJQANCHMSA-N
• XLogP: 4.33
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.61
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-phenylbutanamide?

The IUPAC name of (2R)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-phenylbutanamide (CID 92726906) is (2R)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-phenylbutanamide.

What is the SMILES notation for (2R)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-phenylbutanamide?

The canonical SMILES for (2R)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-phenylbutanamide is CC[C@@H](C(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(C)cc1)CC2)c1ccccc1.

What is the InChIKey of (2R)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-phenylbutanamide?

The InChIKey is XIJWKSQOZIHCBK-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25N3O3S2/c1-3-19(17-7-5-4-6-8-17)22(27)25-23-24-20-13-14-26(15-21(20)30-23)31(28,29)18-11-9-16(2)10-12-18/h4-12,19H,3,13-15H2,1-2H3,(H,24,25,27)/t19-/m1/s1.

What are the key properties of (2R)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-phenylbutanamide?

(2R)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-phenylbutanamide has a molecular weight of 455.61 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-phenylbutanamide is sourced from PubChem (CID 92726906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).