N-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-3-carboxamide

C19H24N2O4S — CID 91059922

IUPACN-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-3-carboxamide
SMILESO=CC(CC1CCCC1)(NC(=O)c1ccsc1)N1CCC2OCC(=O)C21
InChIInChI=1S/C19H24N2O4S/c22-12-19(9-13-3-1-2-4-13,20-18(24)14-6-8-26-11-14)21-7-5-16-17(21)15(23)10-25-16/h6,8,11-13,16-17H,1-5,7,9-10H2,(H,20,24)
InChIKeyJMQBFVJFUUUKBV-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.00
Rot. Bonds6

About N-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-3-carboxamide

N-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-3-carboxamide (PubChem CID 91059922) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-3-carboxamide
PubChem CID91059922
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-3-carboxamide
SMILESO=CC(CC1CCCC1)(NC(=O)c1ccsc1)N1CCC2OCC(=O)C21
InChIInChI=1S/C19H24N2O4S/c22-12-19(9-13-3-1-2-4-13,20-18(24)14-6-8-26-11-14)21-7-5-16-17(21)15(23)10-25-16/h6,8,11-13,16-17H,1-5,7,9-10H2,(H,20,24)
InChIKeyJMQBFVJFUUUKBV-UHFFFAOYSA-N
XLogP2.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-3-carboxamide (CID 91059922) is N-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-3-carboxamide is O=CC(CC1CCCC1)(NC(=O)c1ccsc1)N1CCC2OCC(=O)C21.
What is the InChIKey of N-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-3-carboxamide?
The InChIKey is JMQBFVJFUUUKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c22-12-19(9-13-3-1-2-4-13,20-18(24)14-6-8-26-11-14)21-7-5-16-17(21)15(23)10-25-16/h6,8,11-13,16-17H,1-5,7,9-10H2,(H,20,24).
What are the key properties of N-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-3-carboxamide?
N-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-3-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopentyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 91059922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).