ethyl N-(dibenzyl-lambda4-sulfanylidene)carbamate

C17H19NO2S — CID 12684742

IUPACethyl N-(dibenzyl-lambda4-sulfanylidene)carbamate
SMILESCCOC(=O)N=S(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H19NO2S/c1-2-20-17(19)18-21(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChIKeyKUJVAPHDROZDAP-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.35
Rot. Bonds5

About ethyl N-(dibenzyl-lambda4-sulfanylidene)carbamate

ethyl N-(dibenzyl-lambda4-sulfanylidene)carbamate (PubChem CID 12684742) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is ethyl N-(dibenzyl-lambda4-sulfanylidene)carbamate.

Molecular Properties

Compound Nameethyl N-(dibenzyl-lambda4-sulfanylidene)carbamate
PubChem CID12684742
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Nameethyl N-(dibenzyl-lambda4-sulfanylidene)carbamate
SMILESCCOC(=O)N=S(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H19NO2S/c1-2-20-17(19)18-21(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChIKeyKUJVAPHDROZDAP-UHFFFAOYSA-N
XLogP4.35
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(dibenzyl-lambda4-sulfanylidene)carbamate?
The IUPAC name of ethyl N-(dibenzyl-lambda4-sulfanylidene)carbamate (CID 12684742) is ethyl N-(dibenzyl-lambda4-sulfanylidene)carbamate.
What is the SMILES notation for ethyl N-(dibenzyl-lambda4-sulfanylidene)carbamate?
The canonical SMILES for ethyl N-(dibenzyl-lambda4-sulfanylidene)carbamate is CCOC(=O)N=S(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of ethyl N-(dibenzyl-lambda4-sulfanylidene)carbamate?
The InChIKey is KUJVAPHDROZDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-2-20-17(19)18-21(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3.
What are the key properties of ethyl N-(dibenzyl-lambda4-sulfanylidene)carbamate?
ethyl N-(dibenzyl-lambda4-sulfanylidene)carbamate has a molecular weight of 301.41 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(dibenzyl-lambda4-sulfanylidene)carbamate is sourced from PubChem (CID 12684742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).