N-[(5-chlorothiophen-2-yl)methyl]-2-(1-thiophen-2-ylethylsulfinyl)acetamide

C13H14ClNO2S3 — CID 75381770

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(1-thiophen-2-ylethylsulfinyl)acetamide
SMILESCC(c1cccs1)S(=O)CC(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C13H14ClNO2S3/c1-9(11-3-2-6-18-11)20(17)8-13(16)15-7-10-4-5-12(14)19-10/h2-6,9H,7-8H2,1H3,(H,15,16)
InChIKeyYQMNLDWJBVUTJV-UHFFFAOYSA-N
MW347.91 g/mol
LogP3.59
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-2-(1-thiophen-2-ylethylsulfinyl)acetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-(1-thiophen-2-ylethylsulfinyl)acetamide (PubChem CID 75381770) has the molecular formula C13H14ClNO2S3 and a molecular weight of 347.91 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(1-thiophen-2-ylethylsulfinyl)acetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(1-thiophen-2-ylethylsulfinyl)acetamide
PubChem CID75381770
Molecular FormulaC13H14ClNO2S3
Molecular Weight347.91 g/mol
Exact Mass346.99
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(1-thiophen-2-ylethylsulfinyl)acetamide
SMILESCC(c1cccs1)S(=O)CC(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C13H14ClNO2S3/c1-9(11-3-2-6-18-11)20(17)8-13(16)15-7-10-4-5-12(14)19-10/h2-6,9H,7-8H2,1H3,(H,15,16)
InChIKeyYQMNLDWJBVUTJV-UHFFFAOYSA-N
XLogP3.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.91
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 47281346
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 50988904
N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide
CID 115140641
3-[(5-chlorothiophen-2-yl)methylamino]-3-thiophen-2-ylpropanoic acid
CID 43727594
5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 71804635
1-amino-3-(5-chlorothiophen-2-yl)-1-thiophen-2-ylpropan-2-one
CID 116601595
1-[(5-chlorothiophen-2-yl)methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 119131184
N-[(5-chlorothiophen-2-yl)methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 32832937
N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 54962828
1-[(5-chlorothiophen-2-yl)methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 119131183
N-[(5-chlorothiophen-2-yl)methyl]-2-(hydroxymethyl)-3-methylbutanamide
CID 115187291
N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432764

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(1-thiophen-2-ylethylsulfinyl)acetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(1-thiophen-2-ylethylsulfinyl)acetamide (CID 75381770) is N-[(5-chlorothiophen-2-yl)methyl]-2-(1-thiophen-2-ylethylsulfinyl)acetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(1-thiophen-2-ylethylsulfinyl)acetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(1-thiophen-2-ylethylsulfinyl)acetamide is CC(c1cccs1)S(=O)CC(=O)NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(1-thiophen-2-ylethylsulfinyl)acetamide?
The InChIKey is YQMNLDWJBVUTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2S3/c1-9(11-3-2-6-18-11)20(17)8-13(16)15-7-10-4-5-12(14)19-10/h2-6,9H,7-8H2,1H3,(H,15,16).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(1-thiophen-2-ylethylsulfinyl)acetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-(1-thiophen-2-ylethylsulfinyl)acetamide has a molecular weight of 347.91 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-(1-thiophen-2-ylethylsulfinyl)acetamide is sourced from PubChem (CID 75381770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).