ethyl N-(4-acetamidophenyl)sulfonyl-N-methylcarbamate

C12H16N2O5S — CID 172776979

IUPACethyl N-(4-acetamidophenyl)sulfonyl-N-methylcarbamate
SMILESCCOC(=O)N(C)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H16N2O5S/c1-4-19-12(16)14(3)20(17,18)11-7-5-10(6-8-11)13-9(2)15/h5-8H,4H2,1-3H3,(H,13,15)
InChIKeyNSSYVYKNTHZCER-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.42
Rot. Bonds4

About ethyl N-(4-acetamidophenyl)sulfonyl-N-methylcarbamate

ethyl N-(4-acetamidophenyl)sulfonyl-N-methylcarbamate (PubChem CID 172776979) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is ethyl N-(4-acetamidophenyl)sulfonyl-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-(4-acetamidophenyl)sulfonyl-N-methylcarbamate
PubChem CID172776979
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Nameethyl N-(4-acetamidophenyl)sulfonyl-N-methylcarbamate
SMILESCCOC(=O)N(C)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H16N2O5S/c1-4-19-12(16)14(3)20(17,18)11-7-5-10(6-8-11)13-9(2)15/h5-8H,4H2,1-3H3,(H,13,15)
InChIKeyNSSYVYKNTHZCER-UHFFFAOYSA-N
XLogP1.42
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
CID 12963006
ethyl 4-acetamidobenzenesulfonate
CID 91726392
N-[4-[2-aminopropyl(methyl)sulfamoyl]phenyl]acetamide
CID 63766968
N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]phenyl]acetamide
CID 39387601
bis[[(4-acetamidophenyl)sulfonyl-methylamino]methoxy]-oxophosphanium
CID 70371614
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetate
CID 50889406
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-fluoroanilino)acetate
CID 50889178
N-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 94606005
N-[4-[butyl(ethyl)sulfamoyl]phenyl]acetamide
CID 2164655
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
N-[4-[(4-methylphenyl)-[(4-methylphenyl)methyl]sulfamoyl]phenyl]acetamide
CID 46022239
N-[4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 6462480

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-acetamidophenyl)sulfonyl-N-methylcarbamate?
The IUPAC name of ethyl N-(4-acetamidophenyl)sulfonyl-N-methylcarbamate (CID 172776979) is ethyl N-(4-acetamidophenyl)sulfonyl-N-methylcarbamate.
What is the SMILES notation for ethyl N-(4-acetamidophenyl)sulfonyl-N-methylcarbamate?
The canonical SMILES for ethyl N-(4-acetamidophenyl)sulfonyl-N-methylcarbamate is CCOC(=O)N(C)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of ethyl N-(4-acetamidophenyl)sulfonyl-N-methylcarbamate?
The InChIKey is NSSYVYKNTHZCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-4-19-12(16)14(3)20(17,18)11-7-5-10(6-8-11)13-9(2)15/h5-8H,4H2,1-3H3,(H,13,15).
What are the key properties of ethyl N-(4-acetamidophenyl)sulfonyl-N-methylcarbamate?
ethyl N-(4-acetamidophenyl)sulfonyl-N-methylcarbamate has a molecular weight of 300.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-acetamidophenyl)sulfonyl-N-methylcarbamate is sourced from PubChem (CID 172776979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).