2-(2-cyclopropylethyl)-6-[4-methyl-2-[[6-(3-oxomorpholin-4-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-N-(oxetan-3-yl)-3-oxo-1H-isoindole-4-sulfonamide

C29H32N6O6S2 — CID 134366805

IUPAC2-(2-cyclopropylethyl)-6-[4-methyl-2-[[6-(3-oxomorpholin-4-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-N-(oxetan-3-yl)-3-oxo-1H-isoindole-4-sulfonamide
SMILESCc1nc(Nc2cccc(N3CCOCC3=O)n2)sc1-c1cc2c(c(S(=O)(=O)NC3COC3)c1)C(=O)N(CCC1CC1)C2
InChIInChI=1S/C29H32N6O6S2/c1-17-27(42-29(30-17)32-23-3-2-4-24(31-23)35-9-10-40-16-25(35)36)19-11-20-13-34(8-7-18-5-6-18)28(37)26(20)22(12-19)43(38,39)33-21-14-41-15-21/h2-4,11-12,18,21,33H,5-10,13-16H2,1H3,(H,30,31,32)
InChIKeyIDYKEBIYVBJRMI-UHFFFAOYSA-N
MW624.75 g/mol
LogP3.05
Rot. Bonds10

About 2-(2-cyclopropylethyl)-6-[4-methyl-2-[[6-(3-oxomorpholin-4-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-N-(oxetan-3-yl)-3-oxo-1H-isoindole-4-sulfonamide

2-(2-cyclopropylethyl)-6-[4-methyl-2-[[6-(3-oxomorpholin-4-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-N-(oxetan-3-yl)-3-oxo-1H-isoindole-4-sulfonamide (PubChem CID 134366805) has the molecular formula C29H32N6O6S2 and a molecular weight of 624.75 g/mol. Its IUPAC name is 2-(2-cyclopropylethyl)-6-[4-methyl-2-[[6-(3-oxomorpholin-4-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-N-(oxetan-3-yl)-3-oxo-1H-isoindole-4-sulfonamide.

Molecular Properties

Compound Name2-(2-cyclopropylethyl)-6-[4-methyl-2-[[6-(3-oxomorpholin-4-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-N-(oxetan-3-yl)-3-oxo-1H-isoindole-4-sulfonamide
PubChem CID134366805
Molecular FormulaC29H32N6O6S2
Molecular Weight624.75 g/mol
Exact Mass624.18
IUPAC Name2-(2-cyclopropylethyl)-6-[4-methyl-2-[[6-(3-oxomorpholin-4-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-N-(oxetan-3-yl)-3-oxo-1H-isoindole-4-sulfonamide
SMILESCc1nc(Nc2cccc(N3CCOCC3=O)n2)sc1-c1cc2c(c(S(=O)(=O)NC3COC3)c1)C(=O)N(CCC1CC1)C2
InChIInChI=1S/C29H32N6O6S2/c1-17-27(42-29(30-17)32-23-3-2-4-24(31-23)35-9-10-40-16-25(35)36)19-11-20-13-34(8-7-18-5-6-18)28(37)26(20)22(12-19)43(38,39)33-21-14-41-15-21/h2-4,11-12,18,21,33H,5-10,13-16H2,1H3,(H,30,31,32)
InChIKeyIDYKEBIYVBJRMI-UHFFFAOYSA-N
XLogP3.05
TPSA143.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.75
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-(2-cyclopropylethyl)-6-[4-methyl-2-[[6-(3-oxomorpholin-4-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-N-(oxetan-3-yl)-3-oxo-1H-isoindole-4-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethyl)-6-[4-methyl-2-[[6-(3-oxomorpholin-4-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-N-(oxetan-3-yl)-3-oxo-1H-isoindole-4-sulfonamide?
The IUPAC name of 2-(2-cyclopropylethyl)-6-[4-methyl-2-[[6-(3-oxomorpholin-4-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-N-(oxetan-3-yl)-3-oxo-1H-isoindole-4-sulfonamide (CID 134366805) is 2-(2-cyclopropylethyl)-6-[4-methyl-2-[[6-(3-oxomorpholin-4-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-N-(oxetan-3-yl)-3-oxo-1H-isoindole-4-sulfonamide.
What is the SMILES notation for 2-(2-cyclopropylethyl)-6-[4-methyl-2-[[6-(3-oxomorpholin-4-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-N-(oxetan-3-yl)-3-oxo-1H-isoindole-4-sulfonamide?
The canonical SMILES for 2-(2-cyclopropylethyl)-6-[4-methyl-2-[[6-(3-oxomorpholin-4-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-N-(oxetan-3-yl)-3-oxo-1H-isoindole-4-sulfonamide is Cc1nc(Nc2cccc(N3CCOCC3=O)n2)sc1-c1cc2c(c(S(=O)(=O)NC3COC3)c1)C(=O)N(CCC1CC1)C2.
What is the InChIKey of 2-(2-cyclopropylethyl)-6-[4-methyl-2-[[6-(3-oxomorpholin-4-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-N-(oxetan-3-yl)-3-oxo-1H-isoindole-4-sulfonamide?
The InChIKey is IDYKEBIYVBJRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O6S2/c1-17-27(42-29(30-17)32-23-3-2-4-24(31-23)35-9-10-40-16-25(35)36)19-11-20-13-34(8-7-18-5-6-18)28(37)26(20)22(12-19)43(38,39)33-21-14-41-15-21/h2-4,11-12,18,21,33H,5-10,13-16H2,1H3,(H,30,31,32).
What are the key properties of 2-(2-cyclopropylethyl)-6-[4-methyl-2-[[6-(3-oxomorpholin-4-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-N-(oxetan-3-yl)-3-oxo-1H-isoindole-4-sulfonamide?
2-(2-cyclopropylethyl)-6-[4-methyl-2-[[6-(3-oxomorpholin-4-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-N-(oxetan-3-yl)-3-oxo-1H-isoindole-4-sulfonamide has a molecular weight of 624.75 g/mol, XLogP of 3.05, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethyl)-6-[4-methyl-2-[[6-(3-oxomorpholin-4-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]-N-(oxetan-3-yl)-3-oxo-1H-isoindole-4-sulfonamide is sourced from PubChem (CID 134366805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).