N-(5-chloro-2-pyridinyl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide

C12H10Cl2N2OS2 — CID 34136142

IUPACN-(5-chloro-2-pyridinyl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccc(Cl)s1)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H10Cl2N2OS2/c13-8-1-4-11(15-5-8)16-12(17)7-18-6-9-2-3-10(14)19-9/h1-5H,6-7H2,(H,15,16,17)
InChIKeyOZUJGIXNAHQNEB-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.32
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide

N-(5-chloro-2-pyridinyl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide (PubChem CID 34136142) has the molecular formula C12H10Cl2N2OS2 and a molecular weight of 333.27 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide
PubChem CID34136142
Molecular FormulaC12H10Cl2N2OS2
Molecular Weight333.27 g/mol
Exact Mass331.96
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccc(Cl)s1)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H10Cl2N2OS2/c13-8-1-4-11(15-5-8)16-12(17)7-18-6-9-2-3-10(14)19-9/h1-5H,6-7H2,(H,15,16,17)
InChIKeyOZUJGIXNAHQNEB-UHFFFAOYSA-N
XLogP4.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]pyrazol-1-yl]acetic acid
CID 61017351
3-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]pyridine-2-carboxylic acid
CID 104739627
N-(5-chloro-1-methylbenzimidazol-2-yl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide
CID 71882719
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 43546509
N-(5-chloro-2-pyridinyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 2534109
N-(5-chloro-2-pyridinyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide
CID 51319436
5-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60870321
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,3-dihydroxypropyl)acetamide
CID 66177472
N-(5-chloro-2-pyridinyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9456862
N-(5-chloro-2-pyridinyl)-2-(2-methylphenyl)sulfanylacetamide
CID 34135048
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(4-hydroxybutan-2-yl)acetamide
CID 115283632
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 37017604

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide (CID 34136142) is N-(5-chloro-2-pyridinyl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide is O=C(CSCc1ccc(Cl)s1)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide?
The InChIKey is OZUJGIXNAHQNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS2/c13-8-1-4-11(15-5-8)16-12(17)7-18-6-9-2-3-10(14)19-9/h1-5H,6-7H2,(H,15,16,17).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide?
N-(5-chloro-2-pyridinyl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide has a molecular weight of 333.27 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 34136142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).