2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-N-(thiophen-2-ylmethyl)acetamide

C18H22N2O3S — CID 135102443

IUPAC2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1cccc2c1OCCCN(CC(=O)NCc1cccs1)C2
InChIInChI=1S/C18H22N2O3S/c1-22-16-7-2-5-14-12-20(8-4-9-23-18(14)16)13-17(21)19-11-15-6-3-10-24-15/h2-3,5-7,10H,4,8-9,11-13H2,1H3,(H,19,21)
InChIKeyNDZMWMHUMOKRFU-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.66
Rot. Bonds5

About 2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 135102443) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID135102443
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1cccc2c1OCCCN(CC(=O)NCc1cccs1)C2
InChIInChI=1S/C18H22N2O3S/c1-22-16-7-2-5-14-12-20(8-4-9-23-18(14)16)13-17(21)19-11-15-6-3-10-24-15/h2-3,5-7,10H,4,8-9,11-13H2,1H3,(H,19,21)
InChIKeyNDZMWMHUMOKRFU-UHFFFAOYSA-N
XLogP2.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-N-(thiophen-2-ylmethyl)acetamide with MolForge

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Related Compounds

2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30959496
2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 134001147
2-[7-(hydroxymethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 91837409
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30733019
2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
CID 43521795
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 51126982
2,3-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17173324
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947
1-[2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)phenyl]ethanone
CID 77091655
3-methyl-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid
CID 63136606
10-methoxy-5-[(3R)-3-methylsulfanylbutyl]-2,3,4,6-tetrahydro-1,5-benzoxazocine
CID 99961723

Frequently Asked Questions

What is the IUPAC name of 2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 135102443) is 2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-N-(thiophen-2-ylmethyl)acetamide is COc1cccc2c1OCCCN(CC(=O)NCc1cccs1)C2.
What is the InChIKey of 2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is NDZMWMHUMOKRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-22-16-7-2-5-14-12-20(8-4-9-23-18(14)16)13-17(21)19-11-15-6-3-10-24-15/h2-3,5-7,10H,4,8-9,11-13H2,1H3,(H,19,21).
What are the key properties of 2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 346.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 135102443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).