ethyl 2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetate

C16H18N2O5S — CID 2765461

IUPACethyl 2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetate
SMILESCCOC(=O)CN(c1ccccn1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H18N2O5S/c1-3-23-16(19)12-18(15-6-4-5-11-17-15)24(20,21)14-9-7-13(22-2)8-10-14/h4-11H,3,12H2,1-2H3
InChIKeyAAKOAFHGLFVXOR-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.85
Rot. Bonds7

About ethyl 2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetate

ethyl 2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetate (PubChem CID 2765461) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is ethyl 2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetate
PubChem CID2765461
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Nameethyl 2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetate
SMILESCCOC(=O)CN(c1ccccn1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H18N2O5S/c1-3-23-16(19)12-18(15-6-4-5-11-17-15)24(20,21)14-9-7-13(22-2)8-10-14/h4-11H,3,12H2,1-2H3
InChIKeyAAKOAFHGLFVXOR-UHFFFAOYSA-N
XLogP1.85
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Methoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 1484980
N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 4885397
2-[[(4-Methoxyphenyl)sulfonyl](2-pyridinyl)amino]acetic acid
CID 1472191
N-(5-isopropylpyridin-2-yl)-N-(3-methylbutan-2-yl)-4-((tetrahydro-2H-pyran-4-yl)methoxy)benzenesulfonamide
CID 72194692
N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-pyridin-2-ylbenzenesulfonamide
CID 118527019
4-Methoxy-N-pyridin-2-yl-benzenesulfonamide
CID 1087331
1-((2,5-Dimethoxyphenyl)sulfonyl)-4-(2-pyridyl)piperazine
CID 1091562
1-[(3,4-Dimethoxyphenyl)sulfonyl]-4-(2-pyridinyl)piperazine
CID 1091567
4-methoxy-N-(6-morpholino-3-pyridinyl)benzenesulfonamide
CID 3608807
N-[2-(2-methoxyphenoxy)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 9114041
1-(5-Fluoro-2-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 6472666
4-methoxy-N-(5-methylpyridin-2-yl)benzenesulfonamide
CID 669659

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetate (CID 2765461) is ethyl 2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetate is CCOC(=O)CN(c1ccccn1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetate?
The InChIKey is AAKOAFHGLFVXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-3-23-16(19)12-18(15-6-4-5-11-17-15)24(20,21)14-9-7-13(22-2)8-10-14/h4-11H,3,12H2,1-2H3.
What are the key properties of ethyl 2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetate?
ethyl 2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetate has a molecular weight of 350.40 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetate is sourced from PubChem (CID 2765461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).