N-(4-methoxyphenyl)sulfonyl-2-pyridin-4-ylsulfanylacetamide

C14H14N2O4S2 — CID 99808957

IUPACN-(4-methoxyphenyl)sulfonyl-2-pyridin-4-ylsulfanylacetamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)CSc2ccncc2)cc1
InChIInChI=1S/C14H14N2O4S2/c1-20-11-2-4-13(5-3-11)22(18,19)16-14(17)10-21-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyDHMDYHVPAGRZHD-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.69
Rot. Bonds6

About N-(4-methoxyphenyl)sulfonyl-2-pyridin-4-ylsulfanylacetamide

N-(4-methoxyphenyl)sulfonyl-2-pyridin-4-ylsulfanylacetamide (PubChem CID 99808957) has the molecular formula C14H14N2O4S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)sulfonyl-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)sulfonyl-2-pyridin-4-ylsulfanylacetamide
PubChem CID99808957
Molecular FormulaC14H14N2O4S2
Molecular Weight338.41 g/mol
Exact Mass338.04
IUPAC NameN-(4-methoxyphenyl)sulfonyl-2-pyridin-4-ylsulfanylacetamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)CSc2ccncc2)cc1
InChIInChI=1S/C14H14N2O4S2/c1-20-11-2-4-13(5-3-11)22(18,19)16-14(17)10-21-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyDHMDYHVPAGRZHD-UHFFFAOYSA-N
XLogP1.69
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxy-2-nitrophenyl)-2-pyridin-4-ylsulfanylacetamide
CID 2837465
3-[(4-methoxyphenyl)sulfonylamino]-N-pyridin-4-ylpropanamide
CID 17192611
N-(2-methoxyethoxy)-2-pyridin-4-ylsulfanylacetamide
CID 79676386
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 122262505
4-methoxy-N-(1-methoxyethenyl)benzenesulfonamide
CID 117059157
N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 154859389
N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 50844100
2-(4-methoxyphenoxy)-N-pyridin-3-ylsulfonylacetamide
CID 75415184
N'-(4-methoxyphenyl)sulfonyloxamide
CID 68844028
2-(4-methoxyphenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724032
2-(4-methoxyphenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 28633089
N-[4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzenesulfonamide
CID 22778694

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)sulfonyl-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-(4-methoxyphenyl)sulfonyl-2-pyridin-4-ylsulfanylacetamide (CID 99808957) is N-(4-methoxyphenyl)sulfonyl-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)sulfonyl-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)sulfonyl-2-pyridin-4-ylsulfanylacetamide is COc1ccc(S(=O)(=O)NC(=O)CSc2ccncc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)sulfonyl-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is DHMDYHVPAGRZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S2/c1-20-11-2-4-13(5-3-11)22(18,19)16-14(17)10-21-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of N-(4-methoxyphenyl)sulfonyl-2-pyridin-4-ylsulfanylacetamide?
N-(4-methoxyphenyl)sulfonyl-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 338.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)sulfonyl-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 99808957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).