N-methyl-2-pyridin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide

C13H14N2OS2 — CID 25342931

IUPACN-methyl-2-pyridin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)CSc1ccccn1
InChIInChI=1S/C13H14N2OS2/c1-15(9-11-5-4-8-17-11)13(16)10-18-12-6-2-3-7-14-12/h2-8H,9-10H2,1H3
InChIKeyPOCSRFGJOJOWGI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.89
Rot. Bonds5

About N-methyl-2-pyridin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide

N-methyl-2-pyridin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 25342931) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-methyl-2-pyridin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-pyridin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID25342931
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC NameN-methyl-2-pyridin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)CSc1ccccn1
InChIInChI=1S/C13H14N2OS2/c1-15(9-11-5-4-8-17-11)13(16)10-18-12-6-2-3-7-14-12/h2-8H,9-10H2,1H3
InChIKeyPOCSRFGJOJOWGI-UHFFFAOYSA-N
XLogP2.89
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
2-(4-methoxyphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78791495
N-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 16539694
2-pyridin-2-ylsulfanyl-1-thiophen-2-ylethanone
CID 3876278
2-(3-amino-2-methylphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 79143453
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 46425848
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 24522843
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396
2-(2-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 43527191
3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 115139118
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 7876150
N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 7874412

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyridin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-pyridin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide (CID 25342931) is N-methyl-2-pyridin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-pyridin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-pyridin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide is CN(Cc1cccs1)C(=O)CSc1ccccn1.
What is the InChIKey of N-methyl-2-pyridin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is POCSRFGJOJOWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS2/c1-15(9-11-5-4-8-17-11)13(16)10-18-12-6-2-3-7-14-12/h2-8H,9-10H2,1H3.
What are the key properties of N-methyl-2-pyridin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide?
N-methyl-2-pyridin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyridin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 25342931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).