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

C25H28N4O5S3 — CID 90691169

IUPACN-[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
SMILESCC(C)CC(NC(=O)c1cc2sccc2s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1
InChIInChI=1S/C25H28N4O5S3/c1-15(2)11-17(27-24(31)22-12-21-20(36-22)7-10-35-21)25(32)28-9-6-18-23(28)19(30)13-29(18)37(33,34)14-16-5-3-4-8-26-16/h3-5,7-8,10,12,15,17-18,23H,6,9,11,13-14H2,1-2H3,(H,27,31)
InChIKeyWAKHTFXIQQRPSD-UHFFFAOYSA-N
MW560.72 g/mol
LogP2.89
Rot. Bonds8

About 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

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 (PubChem CID 90691169) has the molecular formula C25H28N4O5S3 and a molecular weight of 560.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID90691169
Molecular FormulaC25H28N4O5S3
Molecular Weight560.72 g/mol
Exact Mass560.12
IUPAC NameN-[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
SMILESCC(C)CC(NC(=O)c1cc2sccc2s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1
InChIInChI=1S/C25H28N4O5S3/c1-15(2)11-17(27-24(31)22-12-21-20(36-22)7-10-35-21)25(32)28-9-6-18-23(28)19(30)13-29(18)37(33,34)14-16-5-3-4-8-26-16/h3-5,7-8,10,12,15,17-18,23H,6,9,11,13-14H2,1-2H3,(H,27,31)
InChIKeyWAKHTFXIQQRPSD-UHFFFAOYSA-N
XLogP2.89
TPSA116.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.72
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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]thiophene-2-carboxamide
CID 91185069
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]-1-benzofuran-2-carboxamide
CID 91582652
N-[4-methyl-1-[4-(1-oxidopyridin-1-ium-3-yl)sulfonyl-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-1-oxopentan-2-yl]thieno[3,2-b]thiophene-5-carboxamide
CID 91593544
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-[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
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-3-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]-1-benzothiophene-2-carboxamide
CID 91045704
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]-5-phenylthiophene-2-carboxamide
CID 90917886
N-[1-oxo-1-(6-oxo-4-pyridin-3-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)-3-thiophen-2-ylpropan-2-yl]thieno[3,2-b]thiophene-5-carboxamide
CID 91475006
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-[3-(4-hydroxyphenyl)-1-oxo-1-[6-oxo-4-(pyridin-2-ylmethylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]propan-2-yl]-4-phenylbenzamide
CID 90745376

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)CC(NC(=O)c1cc2sccc2s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1.
What is the InChIKey of 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?
The InChIKey is WAKHTFXIQQRPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5S3/c1-15(2)11-17(27-24(31)22-12-21-20(36-22)7-10-35-21)25(32)28-9-6-18-23(28)19(30)13-29(18)37(33,34)14-16-5-3-4-8-26-16/h3-5,7-8,10,12,15,17-18,23H,6,9,11,13-14H2,1-2H3,(H,27,31).
What are the key properties of 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?
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 has a molecular weight of 560.72 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90691169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).