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

C25H22N4O5S4 — CID 91475006

IUPACN-[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
SMILESO=C(NC(Cc1cccs1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1)c1cc2sccc2s1
InChIInChI=1S/C25H22N4O5S4/c30-19-14-29(38(33,34)16-4-1-7-26-13-16)18-5-8-28(23(18)19)25(32)17(11-15-3-2-9-35-15)27-24(31)22-12-21-20(37-22)6-10-36-21/h1-4,6-7,9-10,12-13,17-18,23H,5,8,11,14H2,(H,27,31)
InChIKeyDKLMENILAOHDNY-UHFFFAOYSA-N
MW586.74 g/mol
LogP3.00
Rot. Bonds7

About 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

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 (PubChem CID 91475006) has the molecular formula C25H22N4O5S4 and a molecular weight of 586.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID91475006
Molecular FormulaC25H22N4O5S4
Molecular Weight586.74 g/mol
Exact Mass586.05
IUPAC NameN-[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
SMILESO=C(NC(Cc1cccs1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1)c1cc2sccc2s1
InChIInChI=1S/C25H22N4O5S4/c30-19-14-29(38(33,34)16-4-1-7-26-13-16)18-5-8-28(23(18)19)25(32)17(11-15-3-2-9-35-15)27-24(31)22-12-21-20(37-22)6-10-36-21/h1-4,6-7,9-10,12-13,17-18,23H,5,8,11,14H2,(H,27,31)
InChIKeyDKLMENILAOHDNY-UHFFFAOYSA-N
XLogP3.00
TPSA116.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.74
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

thieno[3,2-b]thiophen-5-yl N-[1-oxo-1-[6-oxo-4-(pyridin-3-ylmethylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-3-thiophen-2-ylpropan-2-yl]carbamate
CID 68891313
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-[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]thieno[3,2-b]thiophene-5-carboxamide
CID 90691169
4-tert-butyl-N-[3-(4-hydroxyphenyl)-1-oxo-1-(6-oxo-4-pyridin-3-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)propan-2-yl]benzamide
CID 68887292
4-tert-butyl-N-[3-(3-hydroxyphenyl)-1-oxo-1-(6-oxo-4-pyridin-3-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)propan-2-yl]benzamide
CID 68889628
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-3-carbonylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]-1-benzothiophene-2-carboxamide
CID 91308714
benzyl N-[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]carbamate
CID 68887807
4-tert-butyl-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-oxo-3-thiophen-2-ylpropan-2-yl]benzamide
CID 68887924
naphthalen-2-yl 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]carbamate
CID 68888674
N-[1-oxo-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-3-thiophen-2-ylpropan-2-yl]-4-phenoxybenzamide
CID 68889803

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(NC(Cc1cccs1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1)c1cc2sccc2s1.
What is the InChIKey of 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?
The InChIKey is DKLMENILAOHDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O5S4/c30-19-14-29(38(33,34)16-4-1-7-26-13-16)18-5-8-28(23(18)19)25(32)17(11-15-3-2-9-35-15)27-24(31)22-12-21-20(37-22)6-10-36-21/h1-4,6-7,9-10,12-13,17-18,23H,5,8,11,14H2,(H,27,31).
What are the key properties of 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?
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 has a molecular weight of 586.74 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91475006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).