ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate

C17H20N2O5S — CID 17147479

IUPACethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C17H20N2O5S/c1-3-23-15-9-5-14(6-10-15)19-25(21,22)16-11-7-13(8-12-16)18-17(20)24-4-2/h5-12,19H,3-4H2,1-2H3,(H,18,20)
InChIKeyRKRNIJCBLUEJHT-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.45
Rot. Bonds7

About ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate

ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate (PubChem CID 17147479) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
PubChem CID17147479
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Nameethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C17H20N2O5S/c1-3-23-15-9-5-14(6-10-15)19-25(21,22)16-11-7-13(8-12-16)18-17(20)24-4-2/h5-12,19H,3-4H2,1-2H3,(H,18,20)
InChIKeyRKRNIJCBLUEJHT-UHFFFAOYSA-N
XLogP3.45
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
ethyl 4-[4-[(4-ethoxyphenyl)sulfamoyl]anilino]-4-oxobut-2-enoate
CID 3367532
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 167768510
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 1013172
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
CID 21173979
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126395320
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
ethyl N-[4-[(3-fluoro-4-methylphenyl)sulfonylamino]phenyl]carbamate
CID 60534530
2-(4-tert-butylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3278728

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate (CID 17147479) is ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate is CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1.
What is the InChIKey of ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate?
The InChIKey is RKRNIJCBLUEJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-3-23-15-9-5-14(6-10-15)19-25(21,22)16-11-7-13(8-12-16)18-17(20)24-4-2/h5-12,19H,3-4H2,1-2H3,(H,18,20).
What are the key properties of ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate?
ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate has a molecular weight of 364.42 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate is sourced from PubChem (CID 17147479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).