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

C25H26N4O5S2 — CID 91373584

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]-1-benzothiophene-2-carboxamide
SMILESCCCC(NC(=O)c1cc2ccccc2s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1
InChIInChI=1S/C25H26N4O5S2/c1-2-7-17(27-24(31)21-14-16-8-3-4-9-20(16)35-21)25(32)28-13-11-18-23(28)19(30)15-29(18)36(33,34)22-10-5-6-12-26-22/h3-6,8-10,12,14,17-18,23H,2,7,11,13,15H2,1H3,(H,27,31)
InChIKeyCLBFFVVIRJQGFT-UHFFFAOYSA-N
MW526.64 g/mol
LogP2.44
Rot. Bonds7

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]-1-benzothiophene-2-carboxamide

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 (PubChem CID 91373584) has the molecular formula C25H26N4O5S2 and a molecular weight of 526.64 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]-1-benzothiophene-2-carboxamide.

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]-1-benzothiophene-2-carboxamide
PubChem CID91373584
Molecular FormulaC25H26N4O5S2
Molecular Weight526.64 g/mol
Exact Mass526.13
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]-1-benzothiophene-2-carboxamide
SMILESCCCC(NC(=O)c1cc2ccccc2s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1
InChIInChI=1S/C25H26N4O5S2/c1-2-7-17(27-24(31)21-14-16-8-3-4-9-20(16)35-21)25(32)28-13-11-18-23(28)19(30)15-29(18)36(33,34)22-10-5-6-12-26-22/h3-6,8-10,12,14,17-18,23H,2,7,11,13,15H2,1H3,(H,27,31)
InChIKeyCLBFFVVIRJQGFT-UHFFFAOYSA-N
XLogP2.44
TPSA116.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.64
LogP ≤ 52.44
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]-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

N-[1-oxo-1-[6-oxo-4-(pyridine-3-carbonylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]-1-benzothiophene-2-carboxamide
CID 91308714
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
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]-1-benzothiophene-2-carboxamide
CID 91045704
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
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]-1-benzofuran-2-carboxamide
CID 90787808
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
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-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-[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-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]-5-phenylthiophene-2-carboxamide
CID 91177411
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]thieno[3,2-b]thiophene-5-carboxamide
CID 90691169

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]-1-benzothiophene-2-carboxamide?
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]-1-benzothiophene-2-carboxamide (CID 91373584) 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]-1-benzothiophene-2-carboxamide.
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]-1-benzothiophene-2-carboxamide?
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]-1-benzothiophene-2-carboxamide is CCCC(NC(=O)c1cc2ccccc2s1)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]-1-benzothiophene-2-carboxamide?
The InChIKey is CLBFFVVIRJQGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5S2/c1-2-7-17(27-24(31)21-14-16-8-3-4-9-20(16)35-21)25(32)28-13-11-18-23(28)19(30)15-29(18)36(33,34)22-10-5-6-12-26-22/h3-6,8-10,12,14,17-18,23H,2,7,11,13,15H2,1H3,(H,27,31).
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]-1-benzothiophene-2-carboxamide?
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 has a molecular weight of 526.64 g/mol, XLogP of 2.44, 7 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]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 91373584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).