ethyl N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]carbamate

C18H22N2O4S — CID 7908241

IUPACethyl N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C18H22N2O4S/c1-5-24-18(21)19-15-8-7-13(3)17(11-15)25(22,23)20-16-9-6-12(2)10-14(16)4/h6-11,20H,5H2,1-4H3,(H,19,21)
InChIKeyPMQCLXADQKAXLA-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.98
Rot. Bonds5

About ethyl N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]carbamate

ethyl N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]carbamate (PubChem CID 7908241) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is ethyl N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]carbamate
PubChem CID7908241
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Nameethyl N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C18H22N2O4S/c1-5-24-18(21)19-15-8-7-13(3)17(11-15)25(22,23)20-16-9-6-12(2)10-14(16)4/h6-11,20H,5H2,1-4H3,(H,19,21)
InChIKeyPMQCLXADQKAXLA-UHFFFAOYSA-N
XLogP3.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]carbamate
CID 60534888
cis-(1R,2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 7762631
(2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-(4-methylphenoxy)propanamide
CID 40785964
N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-thiophen-2-ylacetamide
CID 7908243
methyl 4-[[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoate
CID 5173913
5-(aminomethyl)-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide
CID 28717455
N-(3,4-dichlorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126415286
(E)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 6083457
N-(3,5-dimethylphenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3891119
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-methylbenzamide
CID 1260706
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 126388649
ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate
CID 110178980

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]carbamate?
The IUPAC name of ethyl N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]carbamate (CID 7908241) is ethyl N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]carbamate?
The canonical SMILES for ethyl N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]carbamate is CCOC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1.
What is the InChIKey of ethyl N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]carbamate?
The InChIKey is PMQCLXADQKAXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-5-24-18(21)19-15-8-7-13(3)17(11-15)25(22,23)20-16-9-6-12(2)10-14(16)4/h6-11,20H,5H2,1-4H3,(H,19,21).
What are the key properties of ethyl N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]carbamate?
ethyl N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]carbamate has a molecular weight of 362.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]carbamate is sourced from PubChem (CID 7908241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).