(5R,7S)-4-oxo-N-propyl-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

C17H20N2O3S — CID 86809852

IUPAC(5R,7S)-4-oxo-N-propyl-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
SMILESCCCNC(=O)C1[C@@H]2C=CC3(CN(Cc4cccs4)C(=O)[C@H]13)O2
InChIInChI=1S/C17H20N2O3S/c1-2-7-18-15(20)13-12-5-6-17(22-12)10-19(16(21)14(13)17)9-11-4-3-8-23-11/h3-6,8,12-14H,2,7,9-10H2,1H3,(H,18,20)/t12-,13?,14-,17?/m0/s1
InChIKeyFJDRIMCESNQYSC-PEUXKQIOSA-N
MW332.43 g/mol
LogP1.56
Rot. Bonds5

About (5R,7S)-4-oxo-N-propyl-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

(5R,7S)-4-oxo-N-propyl-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (PubChem CID 86809852) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is (5R,7S)-4-oxo-N-propyl-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

Molecular Properties

Compound Name(5R,7S)-4-oxo-N-propyl-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
PubChem CID86809852
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name(5R,7S)-4-oxo-N-propyl-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
SMILESCCCNC(=O)C1[C@@H]2C=CC3(CN(Cc4cccs4)C(=O)[C@H]13)O2
InChIInChI=1S/C17H20N2O3S/c1-2-7-18-15(20)13-12-5-6-17(22-12)10-19(16(21)14(13)17)9-11-4-3-8-23-11/h3-6,8,12-14H,2,7,9-10H2,1H3,(H,18,20)/t12-,13?,14-,17?/m0/s1
InChIKeyFJDRIMCESNQYSC-PEUXKQIOSA-N
XLogP1.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R,7S)-4-oxo-N-propyl-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (1S,5R,6R,7R)-4-oxo-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
CID 941324
(1S,5S,6R,7S)-4-oxo-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
CID 23308708
(5R,7S)-N-[(4-methoxyphenyl)methyl]-4-oxo-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 86809850
butyl (1R,5S,6S,7R)-4-oxo-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
CID 100815314
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxo-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 4130402
2-methylpropyl (5S,7R)-4-oxo-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
CID 87048663
ethyl 2-[4-oxo-6-(1-thiophen-2-ylethylcarbamoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]acetate
CID 20854771
3-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 122176518
(1R,5S,6S,7R)-3-[(2-chlorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 98184647
N-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 3243023
(1R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3-(pyridin-4-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 176532570
methyl (1R,5S,6S,7R)-3-benzyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
CID 23310349

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-4-oxo-N-propyl-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?
The IUPAC name of (5R,7S)-4-oxo-N-propyl-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (CID 86809852) is (5R,7S)-4-oxo-N-propyl-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.
What is the SMILES notation for (5R,7S)-4-oxo-N-propyl-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?
The canonical SMILES for (5R,7S)-4-oxo-N-propyl-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is CCCNC(=O)C1[C@@H]2C=CC3(CN(Cc4cccs4)C(=O)[C@H]13)O2.
What is the InChIKey of (5R,7S)-4-oxo-N-propyl-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?
The InChIKey is FJDRIMCESNQYSC-PEUXKQIOSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-2-7-18-15(20)13-12-5-6-17(22-12)10-19(16(21)14(13)17)9-11-4-3-8-23-11/h3-6,8,12-14H,2,7,9-10H2,1H3,(H,18,20)/t12-,13?,14-,17?/m0/s1.
What are the key properties of (5R,7S)-4-oxo-N-propyl-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?
(5R,7S)-4-oxo-N-propyl-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-4-oxo-N-propyl-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is sourced from PubChem (CID 86809852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).