N-[(5-chlorothiophen-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide

C12H11ClN2OS2 — CID 47287457

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)NCc1ccc(Cl)s1
InChIInChI=1S/C12H11ClN2OS2/c13-10-5-4-9(18-10)7-15-11(16)8-17-12-3-1-2-6-14-12/h1-6H,7-8H2,(H,15,16)
InChIKeyPHNXGVMWFBAFBH-UHFFFAOYSA-N
MW298.82 g/mol
LogP3.20
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 47287457) has the molecular formula C12H11ClN2OS2 and a molecular weight of 298.82 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide
PubChem CID47287457
Molecular FormulaC12H11ClN2OS2
Molecular Weight298.82 g/mol
Exact Mass298.00
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)NCc1ccc(Cl)s1
InChIInChI=1S/C12H11ClN2OS2/c13-10-5-4-9(18-10)7-15-11(16)8-17-12-3-1-2-6-14-12/h1-6H,7-8H2,(H,15,16)
InChIKeyPHNXGVMWFBAFBH-UHFFFAOYSA-N
XLogP3.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-2-ylsulfanyl-N-tetradecylacetamide
CID 2802554
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 50988904
N-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide
CID 3260207
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide
CID 9347617
N-[(5-chlorothiophen-2-yl)methyl]-2-[[5-(2-phenylethenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 103598026
1-(2,5-dichlorothiophen-3-yl)-2-pyridin-2-ylsulfanylethanone
CID 2805500
N-(1H-benzimidazol-2-ylmethyl)-2-pyridin-2-ylsulfanylacetamide
CID 21008866
N-carbamoyl-2-pyridin-2-ylsulfanylacetamide
CID 5147544
N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide
CID 37063876
N-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
CID 3918454
N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670571

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide (CID 47287457) is N-[(5-chlorothiophen-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is PHNXGVMWFBAFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS2/c13-10-5-4-9(18-10)7-15-11(16)8-17-12-3-1-2-6-14-12/h1-6H,7-8H2,(H,15,16).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 298.82 g/mol, XLogP of 3.20, 5 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-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 47287457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).