benzyl N-benzyl-N-(thiophen-2-ylmethyl)carbamate

C20H19NO2S — CID 11382145

IUPACbenzyl N-benzyl-N-(thiophen-2-ylmethyl)carbamate
SMILESO=C(OCc1ccccc1)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C20H19NO2S/c22-20(23-16-18-10-5-2-6-11-18)21(15-19-12-7-13-24-19)14-17-8-3-1-4-9-17/h1-13H,14-16H2
InChIKeyBDKUXOILXMVVKE-UHFFFAOYSA-N
MW337.44 g/mol
LogP5.09
Rot. Bonds6

About benzyl N-benzyl-N-(thiophen-2-ylmethyl)carbamate

benzyl N-benzyl-N-(thiophen-2-ylmethyl)carbamate (PubChem CID 11382145) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is benzyl N-benzyl-N-(thiophen-2-ylmethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-benzyl-N-(thiophen-2-ylmethyl)carbamate
PubChem CID11382145
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Namebenzyl N-benzyl-N-(thiophen-2-ylmethyl)carbamate
SMILESO=C(OCc1ccccc1)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C20H19NO2S/c22-20(23-16-18-10-5-2-6-11-18)21(15-19-12-7-13-24-19)14-17-8-3-1-4-9-17/h1-13H,14-16H2
InChIKeyBDKUXOILXMVVKE-UHFFFAOYSA-N
XLogP5.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.44
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-benzyl-N-(thiophen-2-ylmethyl)carbamate?
The IUPAC name of benzyl N-benzyl-N-(thiophen-2-ylmethyl)carbamate (CID 11382145) is benzyl N-benzyl-N-(thiophen-2-ylmethyl)carbamate.
What is the SMILES notation for benzyl N-benzyl-N-(thiophen-2-ylmethyl)carbamate?
The canonical SMILES for benzyl N-benzyl-N-(thiophen-2-ylmethyl)carbamate is O=C(OCc1ccccc1)N(Cc1ccccc1)Cc1cccs1.
What is the InChIKey of benzyl N-benzyl-N-(thiophen-2-ylmethyl)carbamate?
The InChIKey is BDKUXOILXMVVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c22-20(23-16-18-10-5-2-6-11-18)21(15-19-12-7-13-24-19)14-17-8-3-1-4-9-17/h1-13H,14-16H2.
What are the key properties of benzyl N-benzyl-N-(thiophen-2-ylmethyl)carbamate?
benzyl N-benzyl-N-(thiophen-2-ylmethyl)carbamate has a molecular weight of 337.44 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-benzyl-N-(thiophen-2-ylmethyl)carbamate is sourced from PubChem (CID 11382145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).