5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-cyclopropylthiophene-2-carboxamide

C28H27ClN4O6S — CID 135205789

About 5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-cyclopropylthiophene-2-carboxamide

5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-cyclopropylthiophene-2-carboxamide (PubChem CID 135205789) has the molecular formula C28H27ClN4O6S and a molecular weight of 583.07 g/mol. Its IUPAC name is 5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-cyclopropylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-cyclopropylthiophene-2-carboxamide
• PubChem CID: 135205789
• Molecular Formula: C28H27ClN4O6S
• Molecular Weight: 583.07 g/mol
• Exact Mass: 582.13
• IUPAC Name: 5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-cyclopropylthiophene-2-carboxamide
• SMILES: COCCC(C(=O)Nc1ccc(C(=O)NC2CC2)s1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cnco2)cc1=O
• InChI: InChI=1S/C28H27ClN4O6S/c1-37-10-9-21(27(35)32-25-8-7-24(40-25)28(36)31-17-4-5-17)33-14-23(38-2)20(12-26(33)34)19-11-16(29)3-6-18(19)22-13-30-15-39-22/h3,6-8,11-15,17,21H,4-5,9-10H2,1-2H3,(H,31,36)(H,32,35)
• InChIKey: QJNOMWVCKLXXGM-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 124.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.07
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-cyclopropylthiophene-2-carboxamide?

The IUPAC name of 5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-cyclopropylthiophene-2-carboxamide (CID 135205789) is 5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-cyclopropylthiophene-2-carboxamide.

What is the SMILES notation for 5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-cyclopropylthiophene-2-carboxamide?

The canonical SMILES for 5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-cyclopropylthiophene-2-carboxamide is COCCC(C(=O)Nc1ccc(C(=O)NC2CC2)s1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cnco2)cc1=O.

What is the InChIKey of 5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-cyclopropylthiophene-2-carboxamide?

The InChIKey is QJNOMWVCKLXXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN4O6S/c1-37-10-9-21(27(35)32-25-8-7-24(40-25)28(36)31-17-4-5-17)33-14-23(38-2)20(12-26(33)34)19-11-16(29)3-6-18(19)22-13-30-15-39-22/h3,6-8,11-15,17,21H,4-5,9-10H2,1-2H3,(H,31,36)(H,32,35).

What are the key properties of 5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-cyclopropylthiophene-2-carboxamide?

5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-cyclopropylthiophene-2-carboxamide has a molecular weight of 583.07 g/mol, XLogP of 5.00, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-cyclopropylthiophene-2-carboxamide is sourced from PubChem (CID 135205789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).