N-[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]-4-phenoxybenzamide

C29H30N4O6S — CID 10053590

IUPACN-[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]-4-phenoxybenzamide
SMILESCCCC(NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1
InChIInChI=1S/C29H30N4O6S/c1-2-8-23(31-28(35)20-12-14-22(15-13-20)39-21-9-4-3-5-10-21)29(36)32-18-16-24-27(32)25(34)19-33(24)40(37,38)26-11-6-7-17-30-26/h3-7,9-15,17,23-24,27H,2,8,16,18-19H2,1H3,(H,31,35)
InChIKeyWFMYIEJHQITIIY-UHFFFAOYSA-N
MW562.65 g/mol
LogP3.02
Rot. Bonds9

About N-[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]-4-phenoxybenzamide

N-[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]-4-phenoxybenzamide (PubChem CID 10053590) has the molecular formula C29H30N4O6S and a molecular weight of 562.65 g/mol. Its IUPAC name is N-[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]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[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]-4-phenoxybenzamide
PubChem CID10053590
Molecular FormulaC29H30N4O6S
Molecular Weight562.65 g/mol
Exact Mass562.19
IUPAC NameN-[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]-4-phenoxybenzamide
SMILESCCCC(NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1
InChIInChI=1S/C29H30N4O6S/c1-2-8-23(31-28(35)20-12-14-22(15-13-20)39-21-9-4-3-5-10-21)29(36)32-18-16-24-27(32)25(34)19-33(24)40(37,38)26-11-6-7-17-30-26/h3-7,9-15,17,23-24,27H,2,8,16,18-19H2,1H3,(H,31,35)
InChIKeyWFMYIEJHQITIIY-UHFFFAOYSA-N
XLogP3.02
TPSA125.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.65
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[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]-4-phenoxybenzamide with MolForge

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Related Compounds

4-methoxy-N-[1-oxo-1-[6-oxo-4-(pyridin-2-ylmethylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide
CID 68890411
N-[4-methyl-1-oxo-1-[6-oxo-4-(pyridine-2-carbonylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]-4-phenoxybenzamide
CID 87613389
N-[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]-1-benzothiophene-2-carboxamide
CID 91373584
N-[4-methyl-1-oxo-1-[6-oxo-4-(pyridin-2-ylmethylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]-4-phenoxybenzamide
CID 68887798
N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-3-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]-4-phenoxybenzamide
CID 68887075
N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]-4-(trifluoromethyl)benzamide
CID 87613537
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
4-morpholin-4-yl-N-[1-oxo-1-[6-oxo-4-(pyridin-2-ylmethylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide
CID 68890287
N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]thiophene-3-carboxamide
CID 90770160
N-[1-oxo-1-[6-oxo-4-(pyridin-2-ylmethylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]thiophene-3-carboxamide
CID 91407835
4-methyl-N-[1-[4-(1-oxidopyridin-1-ium-2-yl)sulfonyl-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-1-oxopentan-2-yl]benzamide
CID 10413647
N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]-1-benzofuran-2-carboxamide
CID 91454340

Frequently Asked Questions

What is the IUPAC name of N-[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]-4-phenoxybenzamide?
The IUPAC name of N-[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]-4-phenoxybenzamide (CID 10053590) is N-[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]-4-phenoxybenzamide.
What is the SMILES notation for N-[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]-4-phenoxybenzamide?
The canonical SMILES for N-[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]-4-phenoxybenzamide is CCCC(NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1.
What is the InChIKey of N-[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]-4-phenoxybenzamide?
The InChIKey is WFMYIEJHQITIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O6S/c1-2-8-23(31-28(35)20-12-14-22(15-13-20)39-21-9-4-3-5-10-21)29(36)32-18-16-24-27(32)25(34)19-33(24)40(37,38)26-11-6-7-17-30-26/h3-7,9-15,17,23-24,27H,2,8,16,18-19H2,1H3,(H,31,35).
What are the key properties of N-[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]-4-phenoxybenzamide?
N-[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]-4-phenoxybenzamide has a molecular weight of 562.65 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[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]-4-phenoxybenzamide is sourced from PubChem (CID 10053590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).