ethyl N-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]carbamate

C17H20N2O4S — CID 60534888

IUPACethyl N-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C17H20N2O4S/c1-4-23-17(20)18-14-6-8-15(9-7-14)19-24(21,22)16-10-5-12(2)11-13(16)3/h5-11,19H,4H2,1-3H3,(H,18,20)
InChIKeyNGSLSTRGBBTZFD-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.67
Rot. Bonds5

About ethyl N-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]carbamate

ethyl N-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]carbamate (PubChem CID 60534888) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is ethyl N-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]carbamate
PubChem CID60534888
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Nameethyl N-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C17H20N2O4S/c1-4-23-17(20)18-14-6-8-15(9-7-14)19-24(21,22)16-10-5-12(2)11-13(16)3/h5-11,19H,4H2,1-3H3,(H,18,20)
InChIKeyNGSLSTRGBBTZFD-UHFFFAOYSA-N
XLogP3.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]carbamate
CID 7908241
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
ethyl N-[4-(chloromethylsulfonylamino)phenyl]carbamate
CID 55245640
ethyl N-[4-[(3-fluoro-4-methylphenyl)sulfonylamino]phenyl]carbamate
CID 60534530
ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
CID 17147479
[4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea
CID 47062796
1,3-bis[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 170548873
2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 22773866
N-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]-2-morpholin-4-ylacetamide
CID 18276845
N-[4-[(4-methyl-2-propoxyphenyl)sulfonylamino]phenyl]acetamide
CID 172906766
2-[(2,4-dimethylphenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 112998873
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]carbamate (CID 60534888) is ethyl N-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]carbamate is CCOC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1.
What is the InChIKey of ethyl N-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]carbamate?
The InChIKey is NGSLSTRGBBTZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-4-23-17(20)18-14-6-8-15(9-7-14)19-24(21,22)16-10-5-12(2)11-13(16)3/h5-11,19H,4H2,1-3H3,(H,18,20).
What are the key properties of ethyl N-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]carbamate?
ethyl N-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]carbamate has a molecular weight of 348.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]carbamate is sourced from PubChem (CID 60534888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).