2-[5-(2-ethylsulfanylcarbothioylsulfanylacetyl)thiophen-2-yl]-N-(4-methoxyphenyl)acetamide

C18H19NO3S4 — CID 24894897

IUPAC2-[5-(2-ethylsulfanylcarbothioylsulfanylacetyl)thiophen-2-yl]-N-(4-methoxyphenyl)acetamide
SMILESCCSC(=S)SCC(=O)c1ccc(CC(=O)Nc2ccc(OC)cc2)s1
InChIInChI=1S/C18H19NO3S4/c1-3-24-18(23)25-11-15(20)16-9-8-14(26-16)10-17(21)19-12-4-6-13(22-2)7-5-12/h4-9H,3,10-11H2,1-2H3,(H,19,21)
InChIKeyZSXALGICOGVKEL-UHFFFAOYSA-N
MW425.62 g/mol
LogP4.89
Rot. Bonds8

About 2-[5-(2-ethylsulfanylcarbothioylsulfanylacetyl)thiophen-2-yl]-N-(4-methoxyphenyl)acetamide

2-[5-(2-ethylsulfanylcarbothioylsulfanylacetyl)thiophen-2-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 24894897) has the molecular formula C18H19NO3S4 and a molecular weight of 425.62 g/mol. Its IUPAC name is 2-[5-(2-ethylsulfanylcarbothioylsulfanylacetyl)thiophen-2-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(2-ethylsulfanylcarbothioylsulfanylacetyl)thiophen-2-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID24894897
Molecular FormulaC18H19NO3S4
Molecular Weight425.62 g/mol
Exact Mass425.02
IUPAC Name2-[5-(2-ethylsulfanylcarbothioylsulfanylacetyl)thiophen-2-yl]-N-(4-methoxyphenyl)acetamide
SMILESCCSC(=S)SCC(=O)c1ccc(CC(=O)Nc2ccc(OC)cc2)s1
InChIInChI=1S/C18H19NO3S4/c1-3-24-18(23)25-11-15(20)16-9-8-14(26-16)10-17(21)19-12-4-6-13(22-2)7-5-12/h4-9H,3,10-11H2,1-2H3,(H,19,21)
InChIKeyZSXALGICOGVKEL-UHFFFAOYSA-N
XLogP4.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.62
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-Methoxyphenyl)-2-thiophenecarboxamide
CID 573876
4-(Acetylamino)phenyl 2-thiophenecarboxylate
CID 128894
N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 790310
N-(3,4-dimethoxyphenyl)thiophene-2-carboxamide
CID 670502
N-(4-methoxyphenyl)-2-(phenylmethylthio)benzamide
CID 8796093
3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 2469877
3-amino-4-(isopropylsulfonyl)-N-(4-methoxyphenyl)-2-thiophenecarboxamide
CID 2815287
N-(2,4-dimethoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 5011557
N-(4-Methoxyphenyl)-4-[3-(thiophene-2-sulfonyl)propanamido]benzamide
CID 15988744
N-(2-methoxyphenyl)thiophene-2-carboxamide
CID 764595
N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 676067
N-(2,4-Dimethoxyphenyl)-2-thiophenecarboxamide
CID 710671

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-ethylsulfanylcarbothioylsulfanylacetyl)thiophen-2-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[5-(2-ethylsulfanylcarbothioylsulfanylacetyl)thiophen-2-yl]-N-(4-methoxyphenyl)acetamide (CID 24894897) is 2-[5-(2-ethylsulfanylcarbothioylsulfanylacetyl)thiophen-2-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-(2-ethylsulfanylcarbothioylsulfanylacetyl)thiophen-2-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[5-(2-ethylsulfanylcarbothioylsulfanylacetyl)thiophen-2-yl]-N-(4-methoxyphenyl)acetamide is CCSC(=S)SCC(=O)c1ccc(CC(=O)Nc2ccc(OC)cc2)s1.
What is the InChIKey of 2-[5-(2-ethylsulfanylcarbothioylsulfanylacetyl)thiophen-2-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is ZSXALGICOGVKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S4/c1-3-24-18(23)25-11-15(20)16-9-8-14(26-16)10-17(21)19-12-4-6-13(22-2)7-5-12/h4-9H,3,10-11H2,1-2H3,(H,19,21).
What are the key properties of 2-[5-(2-ethylsulfanylcarbothioylsulfanylacetyl)thiophen-2-yl]-N-(4-methoxyphenyl)acetamide?
2-[5-(2-ethylsulfanylcarbothioylsulfanylacetyl)thiophen-2-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 425.62 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-ethylsulfanylcarbothioylsulfanylacetyl)thiophen-2-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 24894897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).