N-formyl-3,3,5,5-tetramethyl-2-(3-methyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)hexanamide

C18H26N2O3S — CID 153398339

IUPACN-formyl-3,3,5,5-tetramethyl-2-(3-methyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)hexanamide
SMILESCc1scc2c1CN(C(C(=O)NC=O)C(C)(C)CC(C)(C)C)C2=O
InChIInChI=1S/C18H26N2O3S/c1-11-12-7-20(16(23)13(12)8-24-11)14(15(22)19-10-21)18(5,6)9-17(2,3)4/h8,10,14H,7,9H2,1-6H3,(H,19,21,22)
InChIKeyLBFUOBSVPWWPGH-UHFFFAOYSA-N
MW350.48 g/mol
LogP3.12
Rot. Bonds5

About N-formyl-3,3,5,5-tetramethyl-2-(3-methyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)hexanamide

N-formyl-3,3,5,5-tetramethyl-2-(3-methyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)hexanamide (PubChem CID 153398339) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-formyl-3,3,5,5-tetramethyl-2-(3-methyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)hexanamide.

Molecular Properties

Compound NameN-formyl-3,3,5,5-tetramethyl-2-(3-methyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)hexanamide
PubChem CID153398339
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-formyl-3,3,5,5-tetramethyl-2-(3-methyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)hexanamide
SMILESCc1scc2c1CN(C(C(=O)NC=O)C(C)(C)CC(C)(C)C)C2=O
InChIInChI=1S/C18H26N2O3S/c1-11-12-7-20(16(23)13(12)8-24-11)14(15(22)19-10-21)18(5,6)9-17(2,3)4/h8,10,14H,7,9H2,1-6H3,(H,19,21,22)
InChIKeyLBFUOBSVPWWPGH-UHFFFAOYSA-N
XLogP3.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-formyl-3,3,5,5-tetramethyl-2-(3-methyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)hexanamide?
The IUPAC name of N-formyl-3,3,5,5-tetramethyl-2-(3-methyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)hexanamide (CID 153398339) is N-formyl-3,3,5,5-tetramethyl-2-(3-methyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)hexanamide.
What is the SMILES notation for N-formyl-3,3,5,5-tetramethyl-2-(3-methyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)hexanamide?
The canonical SMILES for N-formyl-3,3,5,5-tetramethyl-2-(3-methyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)hexanamide is Cc1scc2c1CN(C(C(=O)NC=O)C(C)(C)CC(C)(C)C)C2=O.
What is the InChIKey of N-formyl-3,3,5,5-tetramethyl-2-(3-methyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)hexanamide?
The InChIKey is LBFUOBSVPWWPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-11-12-7-20(16(23)13(12)8-24-11)14(15(22)19-10-21)18(5,6)9-17(2,3)4/h8,10,14H,7,9H2,1-6H3,(H,19,21,22).
What are the key properties of N-formyl-3,3,5,5-tetramethyl-2-(3-methyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)hexanamide?
N-formyl-3,3,5,5-tetramethyl-2-(3-methyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)hexanamide has a molecular weight of 350.48 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-3,3,5,5-tetramethyl-2-(3-methyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)hexanamide is sourced from PubChem (CID 153398339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).