N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide

C15H16N2O3S — CID 2370057

IUPACN-(3,4-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccccn2)cc1OC
InChIInChI=1S/C15H16N2O3S/c1-19-12-7-6-11(9-13(12)20-2)17-14(18)10-21-15-5-3-4-8-16-15/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyRTPXFUHOOJXKDN-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.83
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide

N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 2370057) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID2370057
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-(3,4-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccccn2)cc1OC
InChIInChI=1S/C15H16N2O3S/c1-19-12-7-6-11(9-13(12)20-2)17-14(18)10-21-15-5-3-4-8-16-15/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyRTPXFUHOOJXKDN-UHFFFAOYSA-N
XLogP2.83
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-2-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 2839113
N1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-pyridylthio)acetamide
CID 2824712
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-nitropyridin-2-yl)sulfanylacetamide
CID 2960665
N-(3-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 659569
N-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 677656
2-({[(3,4-Dimethoxyphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid
CID 757776
N-Benzo[1,3]dioxol-5-yl-2-(5-nitro-pyridin-2-ylsulfanyl)-acetamide
CID 1088770
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(3-phenoxyphenyl)acetamide
CID 2341783
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2454553
2-[Methanesulfonyl-(3-methoxy-phenyl)-amino]-N-[2-(pyridin-2-ylsulfanyl)-ethyl]-acetamide
CID 3144121
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 3144151
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 3466269

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide (CID 2370057) is N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide is COc1ccc(NC(=O)CSc2ccccn2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is RTPXFUHOOJXKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-19-12-7-6-11(9-13(12)20-2)17-14(18)10-21-15-5-3-4-8-16-15/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide?
N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 304.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 2370057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).