UMXWPYOYDKHHSK-UHFFFAOYSA-N

C₁₉H₂₄N₆O₃S₂ — CID 50943613

About UMXWPYOYDKHHSK-UHFFFAOYSA-N

UMXWPYOYDKHHSK-UHFFFAOYSA-N (PubChem CID 50943613) has the molecular formula C₁₉H₂₄N₆O₃S₂ and a molecular weight of 448.57 g/mol. Its IUPAC name is N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(hydroxymethyl)pyrimidin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: UMXWPYOYDKHHSK-UHFFFAOYSA-N
• PubChem CID: 50943613
• Molecular Formula: C₁₉H₂₄N₆O₃S₂
• Molecular Weight: 448.57 g/mol
• Exact Mass: 448.14
• IUPAC Name: N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(hydroxymethyl)pyrimidin-2-yl]thiophene-2-sulfonamide
• SMILES: CC(C)(C)NS(=O)(=O)c1ccc(-c2ncc(CO)c(Nc3cc(C4CC4)[nH]n3)n2)s1
• InChI: InChI=1S/C19H24N6O3S2/c1-19(2,3)25-30(27,28)16-7-6-14(29-16)18-20-9-12(10-26)17(22-18)21-15-8-13(23-24-15)11-4-5-11/h6-9,11,25-26H,4-5,10H2,1-3H3,(H2,20,21,22,23,24)
• InChIKey: UMXWPYOYDKHHSK-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 132.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.57
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of UMXWPYOYDKHHSK-UHFFFAOYSA-N?

The IUPAC name of UMXWPYOYDKHHSK-UHFFFAOYSA-N (CID 50943613) is N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(hydroxymethyl)pyrimidin-2-yl]thiophene-2-sulfonamide.

What is the SMILES notation for UMXWPYOYDKHHSK-UHFFFAOYSA-N?

The canonical SMILES for UMXWPYOYDKHHSK-UHFFFAOYSA-N is CC(C)(C)NS(=O)(=O)c1ccc(-c2ncc(CO)c(Nc3cc(C4CC4)[nH]n3)n2)s1.

What is the InChIKey of UMXWPYOYDKHHSK-UHFFFAOYSA-N?

The InChIKey is UMXWPYOYDKHHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3S2/c1-19(2,3)25-30(27,28)16-7-6-14(29-16)18-20-9-12(10-26)17(22-18)21-15-8-13(23-24-15)11-4-5-11/h6-9,11,25-26H,4-5,10H2,1-3H3,(H2,20,21,22,23,24).

What are the key properties of UMXWPYOYDKHHSK-UHFFFAOYSA-N?

UMXWPYOYDKHHSK-UHFFFAOYSA-N has a molecular weight of 448.57 g/mol, XLogP of 3.12, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for UMXWPYOYDKHHSK-UHFFFAOYSA-N is sourced from PubChem (CID 50943613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 50943613 — identifiers, structure, computed properties (public domain)

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