ethyl N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]methyl]carbamate

C18H22N2O4S — CID 992663

IUPACethyl N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]methyl]carbamate
SMILESCCOC(=O)NCc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C18H22N2O4S/c1-4-24-18(21)19-12-15-8-10-16(11-9-15)25(22,23)20-17-13(2)6-5-7-14(17)3/h5-11,20H,4,12H2,1-3H3,(H,19,21)
InChIKeyZFBJKXCESYEVPH-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.35
Rot. Bonds6

About ethyl N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]methyl]carbamate

ethyl N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]methyl]carbamate (PubChem CID 992663) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is ethyl N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]methyl]carbamate
PubChem CID992663
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Nameethyl N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]methyl]carbamate
SMILESCCOC(=O)NCc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C18H22N2O4S/c1-4-24-18(21)19-12-15-8-10-16(11-9-15)25(22,23)20-17-13(2)6-5-7-14(17)3/h5-11,20H,4,12H2,1-3H3,(H,19,21)
InChIKeyZFBJKXCESYEVPH-UHFFFAOYSA-N
XLogP3.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]methyl]carbamate?
The IUPAC name of ethyl N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]methyl]carbamate (CID 992663) is ethyl N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]methyl]carbamate?
The canonical SMILES for ethyl N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]methyl]carbamate is CCOC(=O)NCc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of ethyl N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]methyl]carbamate?
The InChIKey is ZFBJKXCESYEVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-4-24-18(21)19-12-15-8-10-16(11-9-15)25(22,23)20-17-13(2)6-5-7-14(17)3/h5-11,20H,4,12H2,1-3H3,(H,19,21).
What are the key properties of ethyl N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]methyl]carbamate?
ethyl N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]methyl]carbamate has a molecular weight of 362.45 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]methyl]carbamate is sourced from PubChem (CID 992663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).