N-cyclopropyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(thiophen-2-ylmethyl)acetamide

C19H20N2O3S — CID 42953421

IUPACN-cyclopropyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C1C2C3C=CC(C3)C2C(=O)N1CC(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C19H20N2O3S/c22-15(20(13-5-6-13)9-14-2-1-7-25-14)10-21-18(23)16-11-3-4-12(8-11)17(16)19(21)24/h1-4,7,11-13,16-17H,5-6,8-10H2
InChIKeyAYPNCCBVGXGNPW-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.05
Rot. Bonds5

About N-cyclopropyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(thiophen-2-ylmethyl)acetamide

N-cyclopropyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 42953421) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID42953421
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-cyclopropyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C1C2C3C=CC(C3)C2C(=O)N1CC(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C19H20N2O3S/c22-15(20(13-5-6-13)9-14-2-1-7-25-14)10-21-18(23)16-11-3-4-12(8-11)17(16)19(21)24/h1-4,7,11-13,16-17H,5-6,8-10H2
InChIKeyAYPNCCBVGXGNPW-UHFFFAOYSA-N
XLogP2.05
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-(2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 86985290
N-cyclopropyl-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 98511802
N-cyclopropyl-2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 98886415
N-cyclopropyl-2-(9-oxoacridin-10-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 25345728
N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 37484139
N-cyclopropyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 37483928
2-(benzimidazol-1-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
CID 91641807
N-cyclohexyl-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-phenylacetamide
CID 98363739
N-cyclopropyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 55581868
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
CID 75526467
2-(1-aminocyclopentyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
CID 64686059
N-cyclopropyl-2-piperidin-4-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119715455

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 42953421) is N-cyclopropyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C1C2C3C=CC(C3)C2C(=O)N1CC(=O)N(Cc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is AYPNCCBVGXGNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c22-15(20(13-5-6-13)9-14-2-1-7-25-14)10-21-18(23)16-11-3-4-12(8-11)17(16)19(21)24/h1-4,7,11-13,16-17H,5-6,8-10H2.
What are the key properties of N-cyclopropyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
N-cyclopropyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 356.45 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 42953421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).