N-[(1Z)-1-[(3Z)-3-ethylidene-2-pyridinylidene]ethyl]-N-(4-methylphenyl)sulfonylacetamide

C18H20N2O3S — CID 138514123

IUPACN-[(1Z)-1-[(3Z)-3-ethylidene-2-pyridinylidene]ethyl]-N-(4-methylphenyl)sulfonylacetamide
SMILESC/C=c1/cccn/c1=C(/C)N(C(C)=O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H20N2O3S/c1-5-16-7-6-12-19-18(16)14(3)20(15(4)21)24(22,23)17-10-8-13(2)9-11-17/h5-12H,1-4H3/b16-5-,18-14-
InChIKeyWBQGSBWUISCERG-GJQSNIEPSA-N
MW344.44 g/mol
LogP1.56
Rot. Bonds3

About N-[(1Z)-1-[(3Z)-3-ethylidene-2-pyridinylidene]ethyl]-N-(4-methylphenyl)sulfonylacetamide

N-[(1Z)-1-[(3Z)-3-ethylidene-2-pyridinylidene]ethyl]-N-(4-methylphenyl)sulfonylacetamide (PubChem CID 138514123) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[(1Z)-1-[(3Z)-3-ethylidene-2-pyridinylidene]ethyl]-N-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-[(1Z)-1-[(3Z)-3-ethylidene-2-pyridinylidene]ethyl]-N-(4-methylphenyl)sulfonylacetamide
PubChem CID138514123
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[(1Z)-1-[(3Z)-3-ethylidene-2-pyridinylidene]ethyl]-N-(4-methylphenyl)sulfonylacetamide
SMILESC/C=c1/cccn/c1=C(/C)N(C(C)=O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H20N2O3S/c1-5-16-7-6-12-19-18(16)14(3)20(15(4)21)24(22,23)17-10-8-13(2)9-11-17/h5-12H,1-4H3/b16-5-,18-14-
InChIKeyWBQGSBWUISCERG-GJQSNIEPSA-N
XLogP1.56
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-[(3Z)-3-ethylidene-2-pyridinylidene]ethyl]-N-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of N-[(1Z)-1-[(3Z)-3-ethylidene-2-pyridinylidene]ethyl]-N-(4-methylphenyl)sulfonylacetamide (CID 138514123) is N-[(1Z)-1-[(3Z)-3-ethylidene-2-pyridinylidene]ethyl]-N-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for N-[(1Z)-1-[(3Z)-3-ethylidene-2-pyridinylidene]ethyl]-N-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for N-[(1Z)-1-[(3Z)-3-ethylidene-2-pyridinylidene]ethyl]-N-(4-methylphenyl)sulfonylacetamide is C/C=c1/cccn/c1=C(/C)N(C(C)=O)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(1Z)-1-[(3Z)-3-ethylidene-2-pyridinylidene]ethyl]-N-(4-methylphenyl)sulfonylacetamide?
The InChIKey is WBQGSBWUISCERG-GJQSNIEPSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-5-16-7-6-12-19-18(16)14(3)20(15(4)21)24(22,23)17-10-8-13(2)9-11-17/h5-12H,1-4H3/b16-5-,18-14-.
What are the key properties of N-[(1Z)-1-[(3Z)-3-ethylidene-2-pyridinylidene]ethyl]-N-(4-methylphenyl)sulfonylacetamide?
N-[(1Z)-1-[(3Z)-3-ethylidene-2-pyridinylidene]ethyl]-N-(4-methylphenyl)sulfonylacetamide has a molecular weight of 344.44 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-[(3Z)-3-ethylidene-2-pyridinylidene]ethyl]-N-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 138514123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).