ethyl N-[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamate

C16H18N2O4S — CID 896649

IUPACethyl N-[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-3-22-16(19)17-13-6-8-14(9-7-13)18-23(20,21)15-10-4-12(2)5-11-15/h4-11,18H,3H2,1-2H3,(H,17,19)
InChIKeyCRYSZFVLVFHQLM-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.36
Rot. Bonds5

About ethyl N-[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamate

ethyl N-[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamate (PubChem CID 896649) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is ethyl N-[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamate
PubChem CID896649
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Nameethyl N-[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-3-22-16(19)17-13-6-8-14(9-7-13)18-23(20,21)15-10-4-12(2)5-11-15/h4-11,18H,3H2,1-2H3,(H,17,19)
InChIKeyCRYSZFVLVFHQLM-UHFFFAOYSA-N
XLogP3.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamate (CID 896649) is ethyl N-[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamate is CCOC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of ethyl N-[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamate?
The InChIKey is CRYSZFVLVFHQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-3-22-16(19)17-13-6-8-14(9-7-13)18-23(20,21)15-10-4-12(2)5-11-15/h4-11,18H,3H2,1-2H3,(H,17,19).
What are the key properties of ethyl N-[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamate?
ethyl N-[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamate has a molecular weight of 334.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamate is sourced from PubChem (CID 896649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).