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

C20H26N2O4S — CID 91228891

IUPACN-[1-cyclohexyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-2-carboxamide
SMILESO=CC(CC1CCCCC1)(NC(=O)c1cccs1)N1CCC2OCC(=O)C21
InChIInChI=1S/C20H26N2O4S/c23-13-20(11-14-5-2-1-3-6-14,21-19(25)17-7-4-10-27-17)22-9-8-16-18(22)15(24)12-26-16/h4,7,10,13-14,16,18H,1-3,5-6,8-9,11-12H2,(H,21,25)
InChIKeyWDEKGIYKVVEFRA-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.39
Rot. Bonds6

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

N-[1-cyclohexyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-2-carboxamide (PubChem CID 91228891) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[1-cyclohexyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-2-carboxamide
PubChem CID91228891
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[1-cyclohexyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-2-carboxamide
SMILESO=CC(CC1CCCCC1)(NC(=O)c1cccs1)N1CCC2OCC(=O)C21
InChIInChI=1S/C20H26N2O4S/c23-13-20(11-14-5-2-1-3-6-14,21-19(25)17-7-4-10-27-17)22-9-8-16-18(22)15(24)12-26-16/h4,7,10,13-14,16,18H,1-3,5-6,8-9,11-12H2,(H,21,25)
InChIKeyWDEKGIYKVVEFRA-UHFFFAOYSA-N
XLogP2.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.39
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-cyclohexyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-cyclohexyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-2-carboxamide (CID 91228891) is N-[1-cyclohexyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-cyclohexyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-cyclohexyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-2-carboxamide is O=CC(CC1CCCCC1)(NC(=O)c1cccs1)N1CCC2OCC(=O)C21.
What is the InChIKey of N-[1-cyclohexyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-2-carboxamide?
The InChIKey is WDEKGIYKVVEFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c23-13-20(11-14-5-2-1-3-6-14,21-19(25)17-7-4-10-27-17)22-9-8-16-18(22)15(24)12-26-16/h4,7,10,13-14,16,18H,1-3,5-6,8-9,11-12H2,(H,21,25).
What are the key properties of N-[1-cyclohexyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-2-carboxamide?
N-[1-cyclohexyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-2-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-3-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 91228891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).