2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide

C23H25N5O4S2 — CID 25038454

About 2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide

2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide (PubChem CID 25038454) has the molecular formula C23H25N5O4S2 and a molecular weight of 499.62 g/mol. Its IUPAC name is 2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide.

Molecular Properties

• Compound Name: 2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
• PubChem CID: 25038454
• Molecular Formula: C23H25N5O4S2
• Molecular Weight: 499.62 g/mol
• Exact Mass: 499.13
• IUPAC Name: 2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
• SMILES: CCC(Sc1nc(C(C)C)ccc1C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
• InChI: InChI=1S/C23H25N5O4S2/c1-5-20(33-23-16(13-24)6-11-19(26-23)14(2)3)22(29)25-17-7-9-18(10-8-17)34(30,31)28-21-12-15(4)32-27-21/h6-12,14,20H,5H2,1-4H3,(H,25,29)(H,27,28)
• InChIKey: WXEAHKIAUSGUGV-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 137.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.62
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide?

The IUPAC name of 2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide (CID 25038454) is 2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide.

What is the SMILES notation for 2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide?

The canonical SMILES for 2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide is CCC(Sc1nc(C(C)C)ccc1C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1.

What is the InChIKey of 2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide?

The InChIKey is WXEAHKIAUSGUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S2/c1-5-20(33-23-16(13-24)6-11-19(26-23)14(2)3)22(29)25-17-7-9-18(10-8-17)34(30,31)28-21-12-15(4)32-27-21/h6-12,14,20H,5H2,1-4H3,(H,25,29)(H,27,28).

What are the key properties of 2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide?

2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide has a molecular weight of 499.62 g/mol, XLogP of 4.68, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide is sourced from PubChem (CID 25038454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).