N-[1-oxo-1-[5-oxo-1-(pyridin-3-ylmethylsulfonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl]pentan-2-yl]-4-(trifluoromethoxy)benzamide

C25H27F3N4O6S — CID 68892154

IUPACN-[1-oxo-1-[5-oxo-1-(pyridin-3-ylmethylsulfonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl]pentan-2-yl]-4-(trifluoromethoxy)benzamide
SMILESCCCC(NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1C(=O)CC2C1CCN2S(=O)(=O)Cc1cccnc1
InChIInChI=1S/C25H27F3N4O6S/c1-2-4-19(30-23(34)17-6-8-18(9-7-17)38-25(26,27)28)24(35)32-20-10-12-31(21(20)13-22(32)33)39(36,37)15-16-5-3-11-29-14-16/h3,5-9,11,14,19-21H,2,4,10,12-13,15H2,1H3,(H,30,34)
InChIKeyOWJRJXNEWWNNHG-UHFFFAOYSA-N
MW568.57 g/mol
LogP2.61
Rot. Bonds9

About N-[1-oxo-1-[5-oxo-1-(pyridin-3-ylmethylsulfonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl]pentan-2-yl]-4-(trifluoromethoxy)benzamide

N-[1-oxo-1-[5-oxo-1-(pyridin-3-ylmethylsulfonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl]pentan-2-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 68892154) has the molecular formula C25H27F3N4O6S and a molecular weight of 568.57 g/mol. Its IUPAC name is N-[1-oxo-1-[5-oxo-1-(pyridin-3-ylmethylsulfonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl]pentan-2-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[1-oxo-1-[5-oxo-1-(pyridin-3-ylmethylsulfonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl]pentan-2-yl]-4-(trifluoromethoxy)benzamide
PubChem CID68892154
Molecular FormulaC25H27F3N4O6S
Molecular Weight568.57 g/mol
Exact Mass568.16
IUPAC NameN-[1-oxo-1-[5-oxo-1-(pyridin-3-ylmethylsulfonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl]pentan-2-yl]-4-(trifluoromethoxy)benzamide
SMILESCCCC(NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1C(=O)CC2C1CCN2S(=O)(=O)Cc1cccnc1
InChIInChI=1S/C25H27F3N4O6S/c1-2-4-19(30-23(34)17-6-8-18(9-7-17)38-25(26,27)28)24(35)32-20-10-12-31(21(20)13-22(32)33)39(36,37)15-16-5-3-11-29-14-16/h3,5-9,11,14,19-21H,2,4,10,12-13,15H2,1H3,(H,30,34)
InChIKeyOWJRJXNEWWNNHG-UHFFFAOYSA-N
XLogP2.61
TPSA125.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.57
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-oxo-1-[5-oxo-1-(pyridin-3-ylmethylsulfonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl]pentan-2-yl]-4-(trifluoromethoxy)benzamide 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

N-[1-oxo-1-[6-oxo-4-(pyridin-3-ylmethylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]-4-(trifluoromethyl)benzamide
CID 68887527
N-[1-oxo-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]-4-(trifluoromethoxy)benzamide
CID 68887776
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-pyridin-2-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]-4-phenoxybenzamide
CID 10053590
N-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide
CID 39559682
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
(4R,4aS,7aS)-1-ethylsulfonyl-4-methoxy-6-(pyridin-3-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,2,2-trifluoroacetic acid
CID 171693170
(2S)-2-[[4-(trifluoromethoxy)benzoyl]amino]hexanoic acid
CID 120614931
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-3-carbonylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]thiophene-3-carboxamide
CID 90937494
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
1-(2-amino-4,4-dimethylpentanoyl)-4-(pyridin-3-ylmethylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-6-one
CID 68890848

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[5-oxo-1-(pyridin-3-ylmethylsulfonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl]pentan-2-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[1-oxo-1-[5-oxo-1-(pyridin-3-ylmethylsulfonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl]pentan-2-yl]-4-(trifluoromethoxy)benzamide (CID 68892154) is N-[1-oxo-1-[5-oxo-1-(pyridin-3-ylmethylsulfonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl]pentan-2-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[1-oxo-1-[5-oxo-1-(pyridin-3-ylmethylsulfonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl]pentan-2-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[1-oxo-1-[5-oxo-1-(pyridin-3-ylmethylsulfonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl]pentan-2-yl]-4-(trifluoromethoxy)benzamide is CCCC(NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1C(=O)CC2C1CCN2S(=O)(=O)Cc1cccnc1.
What is the InChIKey of N-[1-oxo-1-[5-oxo-1-(pyridin-3-ylmethylsulfonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl]pentan-2-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is OWJRJXNEWWNNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O6S/c1-2-4-19(30-23(34)17-6-8-18(9-7-17)38-25(26,27)28)24(35)32-20-10-12-31(21(20)13-22(32)33)39(36,37)15-16-5-3-11-29-14-16/h3,5-9,11,14,19-21H,2,4,10,12-13,15H2,1H3,(H,30,34).
What are the key properties of N-[1-oxo-1-[5-oxo-1-(pyridin-3-ylmethylsulfonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl]pentan-2-yl]-4-(trifluoromethoxy)benzamide?
N-[1-oxo-1-[5-oxo-1-(pyridin-3-ylmethylsulfonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl]pentan-2-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 568.57 g/mol, XLogP of 2.61, 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-[5-oxo-1-(pyridin-3-ylmethylsulfonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl]pentan-2-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 68892154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).