N-[(1R,2S,6R,7S)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]-5-propylthiophene-3-carboxamide

C20H24N2O3S — CID 100688665

IUPACN-[(1R,2S,6R,7S)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(=O)NN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CC[C@H]3C2=C(C)C)cs1
InChIInChI=1S/C20H24N2O3S/c1-4-5-12-8-11(9-26-12)18(23)21-22-19(24)16-13-6-7-14(15(13)10(2)3)17(16)20(22)25/h8-9,13-14,16-17H,4-7H2,1-3H3,(H,21,23)/t13-,14+,16-,17+
InChIKeyWBIFOAGBBDIHQZ-MDBPOYHNSA-N
MW372.49 g/mol
LogP3.32
Rot. Bonds4

About N-[(1R,2S,6R,7S)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]-5-propylthiophene-3-carboxamide

N-[(1R,2S,6R,7S)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]-5-propylthiophene-3-carboxamide (PubChem CID 100688665) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[(1R,2S,6R,7S)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]-5-propylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,6R,7S)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]-5-propylthiophene-3-carboxamide
PubChem CID100688665
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[(1R,2S,6R,7S)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(=O)NN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CC[C@H]3C2=C(C)C)cs1
InChIInChI=1S/C20H24N2O3S/c1-4-5-12-8-11(9-26-12)18(23)21-22-19(24)16-13-6-7-14(15(13)10(2)3)17(16)20(22)25/h8-9,13-14,16-17H,4-7H2,1-3H3,(H,21,23)/t13-,14+,16-,17+
InChIKeyWBIFOAGBBDIHQZ-MDBPOYHNSA-N
XLogP3.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1R,2S,6R,7S)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]-5-propylthiophene-3-carboxamide with MolForge

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Related Compounds

N-[(1R,2R,6R,7R)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]-5-propylthiophene-3-carboxamide
CID 98333984
N-[(3aR,4S,7S,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]-5-propylthiophene-3-carboxamide
CID 98290261
N-[(3aR,4S,7S,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]-5-propylthiophene-3-carboxamide
CID 98290262
N-[(1S,2S,6S,7S)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]-5-methylthiophene-3-carboxamide
CID 98290399
N-[(1S,2S,6S,7R)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]-5-propan-2-ylthiophene-3-carboxamide
CID 6571489
N-[(3aR,4S,7S,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]-5-ethylthiophene-3-carboxamide
CID 98290393
N-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-5-ethylthiophene-3-carboxamide
CID 51569753
N-[(1R,2R,6R,7R)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]-3-ethoxybenzamide
CID 129438645
N-[(1R,2S,6S,7R)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]furan-2-carboxamide
CID 99720198
N-cyclopropyl-5-propylthiophene-3-carboxamide
CID 1244120
N-[(1S,2R,6R,7S)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]-5-methyl-4-phenylthiophene-3-carboxamide
CID 98336947
N-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-5-methylthiophene-3-carboxamide
CID 92527064

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,6R,7S)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]-5-propylthiophene-3-carboxamide?
The IUPAC name of N-[(1R,2S,6R,7S)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]-5-propylthiophene-3-carboxamide (CID 100688665) is N-[(1R,2S,6R,7S)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]-5-propylthiophene-3-carboxamide.
What is the SMILES notation for N-[(1R,2S,6R,7S)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]-5-propylthiophene-3-carboxamide?
The canonical SMILES for N-[(1R,2S,6R,7S)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]-5-propylthiophene-3-carboxamide is CCCc1cc(C(=O)NN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CC[C@H]3C2=C(C)C)cs1.
What is the InChIKey of N-[(1R,2S,6R,7S)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]-5-propylthiophene-3-carboxamide?
The InChIKey is WBIFOAGBBDIHQZ-MDBPOYHNSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-4-5-12-8-11(9-26-12)18(23)21-22-19(24)16-13-6-7-14(15(13)10(2)3)17(16)20(22)25/h8-9,13-14,16-17H,4-7H2,1-3H3,(H,21,23)/t13-,14+,16-,17+.
What are the key properties of N-[(1R,2S,6R,7S)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]-5-propylthiophene-3-carboxamide?
N-[(1R,2S,6R,7S)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]-5-propylthiophene-3-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,6R,7S)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]-5-propylthiophene-3-carboxamide is sourced from PubChem (CID 100688665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).