N-(2-methoxyethylcarbamoyl)-2-(4-methoxyphenyl)sulfanylacetamide

C13H18N2O4S — CID 29318007

IUPACN-(2-methoxyethylcarbamoyl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOCCNC(=O)NC(=O)CSc1ccc(OC)cc1
InChIInChI=1S/C13H18N2O4S/c1-18-8-7-14-13(17)15-12(16)9-20-11-5-3-10(19-2)4-6-11/h3-6H,7-9H2,1-2H3,(H2,14,15,16,17)
InChIKeyHVKYLGCIMGSCTH-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.26
Rot. Bonds7

About N-(2-methoxyethylcarbamoyl)-2-(4-methoxyphenyl)sulfanylacetamide

N-(2-methoxyethylcarbamoyl)-2-(4-methoxyphenyl)sulfanylacetamide (PubChem CID 29318007) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(2-methoxyethylcarbamoyl)-2-(4-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyethylcarbamoyl)-2-(4-methoxyphenyl)sulfanylacetamide
PubChem CID29318007
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-(2-methoxyethylcarbamoyl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOCCNC(=O)NC(=O)CSc1ccc(OC)cc1
InChIInChI=1S/C13H18N2O4S/c1-18-8-7-14-13(17)15-12(16)9-20-11-5-3-10(19-2)4-6-11/h3-6H,7-9H2,1-2H3,(H2,14,15,16,17)
InChIKeyHVKYLGCIMGSCTH-UHFFFAOYSA-N
XLogP1.26
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 7995383
2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 79149469
2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27562284
N-(2-methoxyethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2651102
N-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 107318867
4-methoxy-2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]butanoic acid
CID 62479128
2-(4-amino-2-methylphenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 43303107
5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]pentanoic acid
CID 62032850
2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyethyl)acetamide
CID 35608176
2-(4-methoxyphenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724032
N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53279569
N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethylcarbamoyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-(2-methoxyethylcarbamoyl)-2-(4-methoxyphenyl)sulfanylacetamide (CID 29318007) is N-(2-methoxyethylcarbamoyl)-2-(4-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-methoxyethylcarbamoyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(2-methoxyethylcarbamoyl)-2-(4-methoxyphenyl)sulfanylacetamide is COCCNC(=O)NC(=O)CSc1ccc(OC)cc1.
What is the InChIKey of N-(2-methoxyethylcarbamoyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The InChIKey is HVKYLGCIMGSCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-18-8-7-14-13(17)15-12(16)9-20-11-5-3-10(19-2)4-6-11/h3-6H,7-9H2,1-2H3,(H2,14,15,16,17).
What are the key properties of N-(2-methoxyethylcarbamoyl)-2-(4-methoxyphenyl)sulfanylacetamide?
N-(2-methoxyethylcarbamoyl)-2-(4-methoxyphenyl)sulfanylacetamide has a molecular weight of 298.36 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethylcarbamoyl)-2-(4-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 29318007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).