N-[2-[5-[2-(3-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide

C17H19NO3S2 — CID 39044798

IUPACN-[2-[5-[2-(3-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide
SMILESCOc1cccc(SCC(=O)c2ccc(CCNC(C)=O)s2)c1
InChIInChI=1S/C17H19NO3S2/c1-12(19)18-9-8-14-6-7-17(23-14)16(20)11-22-15-5-3-4-13(10-15)21-2/h3-7,10H,8-9,11H2,1-2H3,(H,18,19)
InChIKeyOLMLTKQCDKIAQZ-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.41
Rot. Bonds8

About N-[2-[5-[2-(3-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide

N-[2-[5-[2-(3-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide (PubChem CID 39044798) has the molecular formula C17H19NO3S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[2-[5-[2-(3-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[2-(3-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide
PubChem CID39044798
Molecular FormulaC17H19NO3S2
Molecular Weight349.48 g/mol
Exact Mass349.08
IUPAC NameN-[2-[5-[2-(3-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide
SMILESCOc1cccc(SCC(=O)c2ccc(CCNC(C)=O)s2)c1
InChIInChI=1S/C17H19NO3S2/c1-12(19)18-9-8-14-6-7-17(23-14)16(20)11-22-15-5-3-4-13(10-15)21-2/h3-7,10H,8-9,11H2,1-2H3,(H,18,19)
InChIKeyOLMLTKQCDKIAQZ-UHFFFAOYSA-N
XLogP3.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-(3-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-[2-(3-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide (CID 39044798) is N-[2-[5-[2-(3-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-[2-(3-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-[2-(3-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide is COc1cccc(SCC(=O)c2ccc(CCNC(C)=O)s2)c1.
What is the InChIKey of N-[2-[5-[2-(3-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide?
The InChIKey is OLMLTKQCDKIAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S2/c1-12(19)18-9-8-14-6-7-17(23-14)16(20)11-22-15-5-3-4-13(10-15)21-2/h3-7,10H,8-9,11H2,1-2H3,(H,18,19).
What are the key properties of N-[2-[5-[2-(3-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide?
N-[2-[5-[2-(3-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-(3-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide is sourced from PubChem (CID 39044798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).