N-[[(1S,5S,6R,7R)-3-(4-methylpentanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-2-carboxamide

C20H28N2O3S — CID 155498772

IUPACN-[[(1S,5S,6R,7R)-3-(4-methylpentanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-2-carboxamide
SMILESCC(C)CCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3cccs3)[C@H]3CC[C@]2(C1)O3
InChIInChI=1S/C20H28N2O3S/c1-13(2)5-6-18(23)22-11-15-14(16-7-8-20(15,12-22)25-16)10-21-19(24)17-4-3-9-26-17/h3-4,9,13-16H,5-8,10-12H2,1-2H3,(H,21,24)/t14-,15+,16+,20+/m0/s1
InChIKeyVEVFMAWVOUDWNK-QCBUCWTNSA-N
MW376.52 g/mol
LogP2.92
Rot. Bonds6

About N-[[(1S,5S,6R,7R)-3-(4-methylpentanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-2-carboxamide

N-[[(1S,5S,6R,7R)-3-(4-methylpentanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-2-carboxamide (PubChem CID 155498772) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-(4-methylpentanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-(4-methylpentanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-2-carboxamide
PubChem CID155498772
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC NameN-[[(1S,5S,6R,7R)-3-(4-methylpentanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-2-carboxamide
SMILESCC(C)CCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3cccs3)[C@H]3CC[C@]2(C1)O3
InChIInChI=1S/C20H28N2O3S/c1-13(2)5-6-18(23)22-11-15-14(16-7-8-20(15,12-22)25-16)10-21-19(24)17-4-3-9-26-17/h3-4,9,13-16H,5-8,10-12H2,1-2H3,(H,21,24)/t14-,15+,16+,20+/m0/s1
InChIKeyVEVFMAWVOUDWNK-QCBUCWTNSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(1S,5S,6R,7R)-3-(4-methylpentanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[[(1S,5S,6R,7R)-3-[(6-methyl-2-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-2-carboxamide
CID 155505884
N-[[(1S,5S,6R,7R)-3-(3-chloro-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-2-carboxamide
CID 155498876
N-[[(1S,5S,6R,7R)-3-(2-methylsulfanylacetyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-3-carboxamide
CID 155507898
N-[[(1S,5S,6R,7R)-3-(2-hydroxyacetyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-propylbenzamide
CID 155495855
5-fluoro-2-methyl-N-[[(1S,5S,6R,7R)-3-propanoyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155492898
5-ethyl-N-[[(1S,5S,6R,7R)-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-3-carboxamide
CID 169416983
4-methyl-N-[[(1S,5S,6R,7R)-3-(2-thiophen-3-ylacetyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 155508806
(1S,5S,6R,7R)-6-[[(4-chlorobenzoyl)amino]methyl]-N-ethyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-3-carboxamide
CID 155508425
5-fluoro-2-methyl-N-[[(1S,5S,6R,7R)-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 169413182
N-[[(1S,5S,6R,7R)-3-[2-(methylamino)-1,3-thiazole-4-carbonyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-pyrrole-3-carboxamide
CID 165421318
N-[[(1S,5S,6R,7R)-3-(4-methylpent-3-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-thiophen-2-ylacetamide
CID 155505351
N-[[(1S,5S,6R,7R)-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]hept-5-enamide
CID 171150724

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-(4-methylpentanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-(4-methylpentanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-2-carboxamide (CID 155498772) is N-[[(1S,5S,6R,7R)-3-(4-methylpentanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-(4-methylpentanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-(4-methylpentanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-2-carboxamide is CC(C)CCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3cccs3)[C@H]3CC[C@]2(C1)O3.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-(4-methylpentanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-2-carboxamide?
The InChIKey is VEVFMAWVOUDWNK-QCBUCWTNSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-13(2)5-6-18(23)22-11-15-14(16-7-8-20(15,12-22)25-16)10-21-19(24)17-4-3-9-26-17/h3-4,9,13-16H,5-8,10-12H2,1-2H3,(H,21,24)/t14-,15+,16+,20+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-(4-methylpentanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-2-carboxamide?
N-[[(1S,5S,6R,7R)-3-(4-methylpentanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-2-carboxamide has a molecular weight of 376.52 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-(4-methylpentanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 155498772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).