N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-2-thiophen-2-ylacetamide

C16H16N2O3S — CID 38960523

IUPACN-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESC[C@@H](NC(=O)Cc1cccs1)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C16H16N2O3S/c1-10(17-15(19)8-12-3-2-6-22-12)11-4-5-14-13(7-11)18-16(20)9-21-14/h2-7,10H,8-9H2,1H3,(H,17,19)(H,18,20)/t10-/m1/s1
InChIKeyYCHCUBKACCDAEO-SNVBAGLBSA-N
MW316.38 g/mol
LogP2.50
Rot. Bonds4

About N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-2-thiophen-2-ylacetamide

N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 38960523) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID38960523
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESC[C@@H](NC(=O)Cc1cccs1)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C16H16N2O3S/c1-10(17-15(19)8-12-3-2-6-22-12)11-4-5-14-13(7-11)18-16(20)9-21-14/h2-7,10H,8-9H2,1H3,(H,17,19)(H,18,20)/t10-/m1/s1
InChIKeyYCHCUBKACCDAEO-SNVBAGLBSA-N
XLogP2.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 38958990
2-(4-methylphenyl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 43071969
3-amino-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]butanamide;hydrochloride
CID 119728794
2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 43063607
2-(2-methoxyethoxy)-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 94022978
3-(methanesulfonamido)-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
CID 71896961
1-[(3-methylthiophen-2-yl)methyl]-3-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]urea
CID 71894686
N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thiophene-2-sulfonamide
CID 34145619
1-(1-benzothiophen-3-ylmethyl)-1-methyl-3-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]urea
CID 75415471
1-(1-benzothiophen-3-ylmethyl)-1-methyl-3-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]urea
CID 94120505
N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]prop-2-enamide
CID 166407009
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 55621153

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-2-thiophen-2-ylacetamide (CID 38960523) is N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-2-thiophen-2-ylacetamide is C[C@@H](NC(=O)Cc1cccs1)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is YCHCUBKACCDAEO-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-10(17-15(19)8-12-3-2-6-22-12)11-4-5-14-13(7-11)18-16(20)9-21-14/h2-7,10H,8-9H2,1H3,(H,17,19)(H,18,20)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-2-thiophen-2-ylacetamide?
N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 316.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 38960523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).