N-formylformamide;2-(4-oxopiperidin-1-yl)-5-pentan-2-ylthieno[2,3-c]pyrrole-4,6-dione

C18H23N3O5S — CID 168987753

IUPACN-formylformamide;2-(4-oxopiperidin-1-yl)-5-pentan-2-ylthieno[2,3-c]pyrrole-4,6-dione
SMILESCCCC(C)N1C(=O)c2cc(N3CCC(=O)CC3)sc2C1=O.O=CNC=O
InChIInChI=1S/C16H20N2O3S.C2H3NO2/c1-3-4-10(2)18-15(20)12-9-13(22-14(12)16(18)21)17-7-5-11(19)6-8-17;4-1-3-2-5/h9-10H,3-8H2,1-2H3;1-2H,(H,3,4,5)
InChIKeyCPWHRXRTYCZJPC-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.59
Rot. Bonds6

About N-formylformamide;2-(4-oxopiperidin-1-yl)-5-pentan-2-ylthieno[2,3-c]pyrrole-4,6-dione

N-formylformamide;2-(4-oxopiperidin-1-yl)-5-pentan-2-ylthieno[2,3-c]pyrrole-4,6-dione (PubChem CID 168987753) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-formylformamide;2-(4-oxopiperidin-1-yl)-5-pentan-2-ylthieno[2,3-c]pyrrole-4,6-dione.

Molecular Properties

Compound NameN-formylformamide;2-(4-oxopiperidin-1-yl)-5-pentan-2-ylthieno[2,3-c]pyrrole-4,6-dione
PubChem CID168987753
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC NameN-formylformamide;2-(4-oxopiperidin-1-yl)-5-pentan-2-ylthieno[2,3-c]pyrrole-4,6-dione
SMILESCCCC(C)N1C(=O)c2cc(N3CCC(=O)CC3)sc2C1=O.O=CNC=O
InChIInChI=1S/C16H20N2O3S.C2H3NO2/c1-3-4-10(2)18-15(20)12-9-13(22-14(12)16(18)21)17-7-5-11(19)6-8-17;4-1-3-2-5/h9-10H,3-8H2,1-2H3;1-2H,(H,3,4,5)
InChIKeyCPWHRXRTYCZJPC-UHFFFAOYSA-N
XLogP1.59
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-formylformamide;2-(4-oxopiperidin-1-yl)-5-pentan-2-ylthieno[2,3-c]pyrrole-4,6-dione with MolForge

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Related Compounds

2-[methyl-(4-oxocyclohexyl)amino]-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one
CID 126624199
2-(Dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one
CID 139307663
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide
CID 164540214
4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4,6-dioxothieno[2,3-c]pyrrol-5-yl]-N-methyl-5-oxopentanamide
CID 168987692
N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide;formaldehyde
CID 168987750
5-(2,2-dimethylpropanoylamino)-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide
CID 51111723
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(2,2-dimethylpropanoylamino)-N,3-dimethylthiophene-2-carboxamide
CID 120011131
N-[5-(2,8-diazaspiro[4.5]decane-8-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 121802199
N-[5-(2,8-diazaspiro[4.5]decane-8-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide
CID 121802200
5-(2,2-dimethylpropanoylamino)-3-methyl-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide
CID 133906253
N-[4-methyl-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 166230941
N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide
CID 168987751

Frequently Asked Questions

What is the IUPAC name of N-formylformamide;2-(4-oxopiperidin-1-yl)-5-pentan-2-ylthieno[2,3-c]pyrrole-4,6-dione?
The IUPAC name of N-formylformamide;2-(4-oxopiperidin-1-yl)-5-pentan-2-ylthieno[2,3-c]pyrrole-4,6-dione (CID 168987753) is N-formylformamide;2-(4-oxopiperidin-1-yl)-5-pentan-2-ylthieno[2,3-c]pyrrole-4,6-dione.
What is the SMILES notation for N-formylformamide;2-(4-oxopiperidin-1-yl)-5-pentan-2-ylthieno[2,3-c]pyrrole-4,6-dione?
The canonical SMILES for N-formylformamide;2-(4-oxopiperidin-1-yl)-5-pentan-2-ylthieno[2,3-c]pyrrole-4,6-dione is CCCC(C)N1C(=O)c2cc(N3CCC(=O)CC3)sc2C1=O.O=CNC=O.
What is the InChIKey of N-formylformamide;2-(4-oxopiperidin-1-yl)-5-pentan-2-ylthieno[2,3-c]pyrrole-4,6-dione?
The InChIKey is CPWHRXRTYCZJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S.C2H3NO2/c1-3-4-10(2)18-15(20)12-9-13(22-14(12)16(18)21)17-7-5-11(19)6-8-17;4-1-3-2-5/h9-10H,3-8H2,1-2H3;1-2H,(H,3,4,5).
What are the key properties of N-formylformamide;2-(4-oxopiperidin-1-yl)-5-pentan-2-ylthieno[2,3-c]pyrrole-4,6-dione?
N-formylformamide;2-(4-oxopiperidin-1-yl)-5-pentan-2-ylthieno[2,3-c]pyrrole-4,6-dione has a molecular weight of 393.47 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-formylformamide;2-(4-oxopiperidin-1-yl)-5-pentan-2-ylthieno[2,3-c]pyrrole-4,6-dione is sourced from PubChem (CID 168987753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).