2-cyano-N-[5-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide

C12H14N2O5S — CID 168522709

IUPAC2-cyano-N-[5-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)CCO)cc1NC(=O)CC#N
InChIInChI=1S/C12H14N2O5S/c1-19-11-3-2-9(20(17,18)7-6-15)8-10(11)14-12(16)4-5-13/h2-3,8,15H,4,6-7H2,1H3,(H,14,16)
InChIKeyKMPUFHSUIGADTB-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.31
Rot. Bonds6

About 2-cyano-N-[5-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide

2-cyano-N-[5-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide (PubChem CID 168522709) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-cyano-N-[5-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[5-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide
PubChem CID168522709
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC Name2-cyano-N-[5-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)CCO)cc1NC(=O)CC#N
InChIInChI=1S/C12H14N2O5S/c1-19-11-3-2-9(20(17,18)7-6-15)8-10(11)14-12(16)4-5-13/h2-3,8,15H,4,6-7H2,1H3,(H,14,16)
InChIKeyKMPUFHSUIGADTB-UHFFFAOYSA-N
XLogP0.31
TPSA116.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-cyanoacetyl)amino]-4-methoxy-N-methylbenzamide
CID 168521072
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-cyanophenyl)propanamide
CID 110428380
2-cyano-N-(3-ethyl-4-methoxyphenyl)acetamide
CID 115172874
2-[2-(2-methoxy-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid
CID 115575110
N-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide
CID 114876342
N-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60842548
2-cyano-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 168521474
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-cyanobenzoate
CID 7716966
4-[(2-cyanoacetyl)amino]-3-methylbenzenesulfonic acid
CID 168524082
N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide
CID 3854691
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-cyanophenyl)propanamide
CID 110428569
N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfonylacetamide
CID 27449091

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[5-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide?
The IUPAC name of 2-cyano-N-[5-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide (CID 168522709) is 2-cyano-N-[5-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[5-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide?
The canonical SMILES for 2-cyano-N-[5-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide is COc1ccc(S(=O)(=O)CCO)cc1NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-[5-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide?
The InChIKey is KMPUFHSUIGADTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S/c1-19-11-3-2-9(20(17,18)7-6-15)8-10(11)14-12(16)4-5-13/h2-3,8,15H,4,6-7H2,1H3,(H,14,16).
What are the key properties of 2-cyano-N-[5-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide?
2-cyano-N-[5-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide has a molecular weight of 298.32 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[5-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]acetamide is sourced from PubChem (CID 168522709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).