ethyl N-anilino-N-(4-methylphenyl)sulfonylcarbamate

C16H18N2O4S — CID 19894943

IUPACethyl N-anilino-N-(4-methylphenyl)sulfonylcarbamate
SMILESCCOC(=O)N(Nc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H18N2O4S/c1-3-22-16(19)18(17-14-7-5-4-6-8-14)23(20,21)15-11-9-13(2)10-12-15/h4-12,17H,3H2,1-2H3
InChIKeyYVRWSHBSELXXRQ-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.17
Rot. Bonds5

About ethyl N-anilino-N-(4-methylphenyl)sulfonylcarbamate

ethyl N-anilino-N-(4-methylphenyl)sulfonylcarbamate (PubChem CID 19894943) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is ethyl N-anilino-N-(4-methylphenyl)sulfonylcarbamate.

Molecular Properties

Compound Nameethyl N-anilino-N-(4-methylphenyl)sulfonylcarbamate
PubChem CID19894943
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Nameethyl N-anilino-N-(4-methylphenyl)sulfonylcarbamate
SMILESCCOC(=O)N(Nc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H18N2O4S/c1-3-22-16(19)18(17-14-7-5-4-6-8-14)23(20,21)15-11-9-13(2)10-12-15/h4-12,17H,3H2,1-2H3
InChIKeyYVRWSHBSELXXRQ-UHFFFAOYSA-N
XLogP3.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-anilino-N-(4-methylphenyl)sulfonylcarbamate?
The IUPAC name of ethyl N-anilino-N-(4-methylphenyl)sulfonylcarbamate (CID 19894943) is ethyl N-anilino-N-(4-methylphenyl)sulfonylcarbamate.
What is the SMILES notation for ethyl N-anilino-N-(4-methylphenyl)sulfonylcarbamate?
The canonical SMILES for ethyl N-anilino-N-(4-methylphenyl)sulfonylcarbamate is CCOC(=O)N(Nc1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl N-anilino-N-(4-methylphenyl)sulfonylcarbamate?
The InChIKey is YVRWSHBSELXXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-3-22-16(19)18(17-14-7-5-4-6-8-14)23(20,21)15-11-9-13(2)10-12-15/h4-12,17H,3H2,1-2H3.
What are the key properties of ethyl N-anilino-N-(4-methylphenyl)sulfonylcarbamate?
ethyl N-anilino-N-(4-methylphenyl)sulfonylcarbamate has a molecular weight of 334.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-anilino-N-(4-methylphenyl)sulfonylcarbamate is sourced from PubChem (CID 19894943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).