N-(1-benzothiophen-5-yl)-N'-[1-(2-methoxyphenyl)ethyl]oxamide

C19H18N2O3S — CID 56795686

IUPACN-(1-benzothiophen-5-yl)-N'-[1-(2-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccccc1C(C)NC(=O)C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C19H18N2O3S/c1-12(15-5-3-4-6-16(15)24-2)20-18(22)19(23)21-14-7-8-17-13(11-14)9-10-25-17/h3-12H,1-2H3,(H,20,22)(H,21,23)
InChIKeyYDXRFWHRLQZEOA-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.73
Rot. Bonds4

About N-(1-benzothiophen-5-yl)-N'-[1-(2-methoxyphenyl)ethyl]oxamide

N-(1-benzothiophen-5-yl)-N'-[1-(2-methoxyphenyl)ethyl]oxamide (PubChem CID 56795686) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-N'-[1-(2-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-N'-[1-(2-methoxyphenyl)ethyl]oxamide
PubChem CID56795686
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-(1-benzothiophen-5-yl)-N'-[1-(2-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccccc1C(C)NC(=O)C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C19H18N2O3S/c1-12(15-5-3-4-6-16(15)24-2)20-18(22)19(23)21-14-7-8-17-13(11-14)9-10-25-17/h3-12H,1-2H3,(H,20,22)(H,21,23)
InChIKeyYDXRFWHRLQZEOA-UHFFFAOYSA-N
XLogP3.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(1-benzothiophen-5-yl)-6-methoxybenzamide
CID 81395610
N'-[(1S)-1-(2-methoxyphenyl)ethyl]-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
CID 95235903
N'-[(1R)-1-(2-methoxyphenyl)ethyl]-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
CID 95053274
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide
CID 108510137
N'-[1-(2-phenoxyphenyl)ethyl]-N-phenyloxamide
CID 86878935
N-[(2-methoxyphenyl)methyl]-1-benzothiophen-5-amine
CID 43687708
3-(1-benzothiophen-5-ylcarbamoylamino)butanoic acid
CID 65453593
N-(1-benzothiophen-5-yl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 55929497
(2R)-2-amino-N-(1-benzothiophen-5-yl)-2-phenylacetamide
CID 61179816
N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]-N-(3-methoxyphenyl)oxamide
CID 95977791
2-(1-benzothiophen-5-ylamino)propanoic acid
CID 65475467
N-[1-(2-methoxyphenyl)ethyl]-3-methylbut-2-enamide
CID 47101319

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-N'-[1-(2-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-N'-[1-(2-methoxyphenyl)ethyl]oxamide (CID 56795686) is N-(1-benzothiophen-5-yl)-N'-[1-(2-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-N'-[1-(2-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-N'-[1-(2-methoxyphenyl)ethyl]oxamide is COc1ccccc1C(C)NC(=O)C(=O)Nc1ccc2sccc2c1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-N'-[1-(2-methoxyphenyl)ethyl]oxamide?
The InChIKey is YDXRFWHRLQZEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-12(15-5-3-4-6-16(15)24-2)20-18(22)19(23)21-14-7-8-17-13(11-14)9-10-25-17/h3-12H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(1-benzothiophen-5-yl)-N'-[1-(2-methoxyphenyl)ethyl]oxamide?
N-(1-benzothiophen-5-yl)-N'-[1-(2-methoxyphenyl)ethyl]oxamide has a molecular weight of 354.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-N'-[1-(2-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 56795686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).