N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]thiophene-3-carboxamide

C22H26N4O5S2 — CID 10368309

About N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]thiophene-3-carboxamide

N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]thiophene-3-carboxamide (PubChem CID 10368309) has the molecular formula C22H26N4O5S2 and a molecular weight of 490.61 g/mol. Its IUPAC name is N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]thiophene-3-carboxamide
• PubChem CID: 10368309
• Molecular Formula: C22H26N4O5S2
• Molecular Weight: 490.61 g/mol
• Exact Mass: 490.13
• IUPAC Name: N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]thiophene-3-carboxamide
• SMILES: CC(C)CC(NC(=O)c1ccsc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1
• InChI: InChI=1S/C22H26N4O5S2/c1-14(2)11-16(24-21(28)15-7-10-32-13-15)22(29)25-9-6-17-20(25)18(27)12-26(17)33(30,31)19-5-3-4-8-23-19/h3-5,7-8,10,13-14,16-17,20H,6,9,11-12H2,1-2H3,(H,24,28)
• InChIKey: HHZFMWIPXRYDAE-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 116.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.61
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]thiophene-3-carboxamide?

The IUPAC name of N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]thiophene-3-carboxamide (CID 10368309) is N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]thiophene-3-carboxamide.

What is the SMILES notation for N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]thiophene-3-carboxamide?

The canonical SMILES for N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]thiophene-3-carboxamide is CC(C)CC(NC(=O)c1ccsc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1.

What is the InChIKey of N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]thiophene-3-carboxamide?

The InChIKey is HHZFMWIPXRYDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S2/c1-14(2)11-16(24-21(28)15-7-10-32-13-15)22(29)25-9-6-17-20(25)18(27)12-26(17)33(30,31)19-5-3-4-8-23-19/h3-5,7-8,10,13-14,16-17,20H,6,9,11-12H2,1-2H3,(H,24,28).

What are the key properties of N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]thiophene-3-carboxamide?

N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]thiophene-3-carboxamide has a molecular weight of 490.61 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 10368309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).