benzyl N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)carbamate

C18H17NO4S3 — CID 18574206

IUPACbenzyl N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)carbamate
SMILESO=C(NCC(c1cccs1)S(=O)(=O)c1cccs1)OCc1ccccc1
InChIInChI=1S/C18H17NO4S3/c20-18(23-13-14-6-2-1-3-7-14)19-12-16(15-8-4-10-24-15)26(21,22)17-9-5-11-25-17/h1-11,16H,12-13H2,(H,19,20)
InChIKeyFBQSYCAIZSJEDX-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.25
Rot. Bonds7

About benzyl N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)carbamate

benzyl N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)carbamate (PubChem CID 18574206) has the molecular formula C18H17NO4S3 and a molecular weight of 407.54 g/mol. Its IUPAC name is benzyl N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)carbamate
PubChem CID18574206
Molecular FormulaC18H17NO4S3
Molecular Weight407.54 g/mol
Exact Mass407.03
IUPAC Namebenzyl N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)carbamate
SMILESO=C(NCC(c1cccs1)S(=O)(=O)c1cccs1)OCc1ccccc1
InChIInChI=1S/C18H17NO4S3/c20-18(23-13-14-6-2-1-3-7-14)19-12-16(15-8-4-10-24-15)26(21,22)17-9-5-11-25-17/h1-11,16H,12-13H2,(H,19,20)
InChIKeyFBQSYCAIZSJEDX-UHFFFAOYSA-N
XLogP4.25
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)carbamate?
The IUPAC name of benzyl N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)carbamate (CID 18574206) is benzyl N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)carbamate.
What is the SMILES notation for benzyl N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)carbamate?
The canonical SMILES for benzyl N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)carbamate is O=C(NCC(c1cccs1)S(=O)(=O)c1cccs1)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)carbamate?
The InChIKey is FBQSYCAIZSJEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S3/c20-18(23-13-14-6-2-1-3-7-14)19-12-16(15-8-4-10-24-15)26(21,22)17-9-5-11-25-17/h1-11,16H,12-13H2,(H,19,20).
What are the key properties of benzyl N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)carbamate?
benzyl N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)carbamate has a molecular weight of 407.54 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)carbamate is sourced from PubChem (CID 18574206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).