ethyl N-(3-acetamido-4-methylphenyl)sulfonyl-N-ethylcarbamate

C14H20N2O5S — CID 163634395

IUPACethyl N-(3-acetamido-4-methylphenyl)sulfonyl-N-ethylcarbamate
SMILESCCOC(=O)N(CC)S(=O)(=O)c1ccc(C)c(NC(C)=O)c1
InChIInChI=1S/C14H20N2O5S/c1-5-16(14(18)21-6-2)22(19,20)12-8-7-10(3)13(9-12)15-11(4)17/h7-9H,5-6H2,1-4H3,(H,15,17)
InChIKeyHYWGNLUFJNXLTC-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.12
Rot. Bonds5

About ethyl N-(3-acetamido-4-methylphenyl)sulfonyl-N-ethylcarbamate

ethyl N-(3-acetamido-4-methylphenyl)sulfonyl-N-ethylcarbamate (PubChem CID 163634395) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is ethyl N-(3-acetamido-4-methylphenyl)sulfonyl-N-ethylcarbamate.

Molecular Properties

Compound Nameethyl N-(3-acetamido-4-methylphenyl)sulfonyl-N-ethylcarbamate
PubChem CID163634395
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Nameethyl N-(3-acetamido-4-methylphenyl)sulfonyl-N-ethylcarbamate
SMILESCCOC(=O)N(CC)S(=O)(=O)c1ccc(C)c(NC(C)=O)c1
InChIInChI=1S/C14H20N2O5S/c1-5-16(14(18)21-6-2)22(19,20)12-8-7-10(3)13(9-12)15-11(4)17/h7-9H,5-6H2,1-4H3,(H,15,17)
InChIKeyHYWGNLUFJNXLTC-UHFFFAOYSA-N
XLogP2.12
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084
ethyl N-(2-methyl-5-sulfamoylphenyl)carbamate
CID 61063184
N-(5-amino-2-methylphenyl)-4-(diethylsulfamoyl)benzamide
CID 28867137
N-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]acetamide
CID 825465
ethyl N-(4-acetamidophenyl)sulfonyl-N-methylcarbamate
CID 172776979
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 4-methylbenzoate
CID 7971596
N-[2-methyl-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide
CID 119993892
1-[5-(diethylsulfamoyl)-2-methylphenyl]-3-methylthiourea
CID 8628352
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate
CID 2673338
N-[2-methyl-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 119993891
4-cyano-N-[5-(diethylsulfamoyl)-2-methylphenyl]benzamide
CID 4810842
N-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 120569164

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-acetamido-4-methylphenyl)sulfonyl-N-ethylcarbamate?
The IUPAC name of ethyl N-(3-acetamido-4-methylphenyl)sulfonyl-N-ethylcarbamate (CID 163634395) is ethyl N-(3-acetamido-4-methylphenyl)sulfonyl-N-ethylcarbamate.
What is the SMILES notation for ethyl N-(3-acetamido-4-methylphenyl)sulfonyl-N-ethylcarbamate?
The canonical SMILES for ethyl N-(3-acetamido-4-methylphenyl)sulfonyl-N-ethylcarbamate is CCOC(=O)N(CC)S(=O)(=O)c1ccc(C)c(NC(C)=O)c1.
What is the InChIKey of ethyl N-(3-acetamido-4-methylphenyl)sulfonyl-N-ethylcarbamate?
The InChIKey is HYWGNLUFJNXLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-5-16(14(18)21-6-2)22(19,20)12-8-7-10(3)13(9-12)15-11(4)17/h7-9H,5-6H2,1-4H3,(H,15,17).
What are the key properties of ethyl N-(3-acetamido-4-methylphenyl)sulfonyl-N-ethylcarbamate?
ethyl N-(3-acetamido-4-methylphenyl)sulfonyl-N-ethylcarbamate has a molecular weight of 328.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-acetamido-4-methylphenyl)sulfonyl-N-ethylcarbamate is sourced from PubChem (CID 163634395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).