pyridin-2-yloxymethoxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate

C18H18N2O4S2 — CID 164739782

IUPACpyridin-2-yloxymethoxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate
SMILESO=C(OCOCOc1ccccn1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C18H18N2O4S2/c21-18(24-14-22-13-23-17-7-1-2-8-19-17)20(11-15-5-3-9-25-15)12-16-6-4-10-26-16/h1-10H,11-14H2
InChIKeyMLEFPJQEOGIVLG-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.35
Rot. Bonds9

About pyridin-2-yloxymethoxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate

pyridin-2-yloxymethoxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate (PubChem CID 164739782) has the molecular formula C18H18N2O4S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is pyridin-2-yloxymethoxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate.

Molecular Properties

Compound Namepyridin-2-yloxymethoxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate
PubChem CID164739782
Molecular FormulaC18H18N2O4S2
Molecular Weight390.49 g/mol
Exact Mass390.07
IUPAC Namepyridin-2-yloxymethoxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate
SMILESO=C(OCOCOc1ccccn1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C18H18N2O4S2/c21-18(24-14-22-13-23-17-7-1-2-8-19-17)20(11-15-5-3-9-25-15)12-16-6-4-10-26-16/h1-10H,11-14H2
InChIKeyMLEFPJQEOGIVLG-UHFFFAOYSA-N
XLogP4.35
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-pyridin-2-yloxyphenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 31841903
[5-[bis(thiophen-2-ylmethyl)carbamoyloxymethoxy]-3-pyridinyl]oxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate
CID 164739552
N-(furan-2-ylmethyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 30805544
2-[bis(thiophen-2-ylmethyl)carbamoyloxy]ethylcarbamic acid
CID 118113439
[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate
CID 134567543
2-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61329037
1-pyridin-2-yl-1-(thiophen-2-ylmethyl)hydrazine
CID 70449715
N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 107358620
ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate
CID 166273196
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119271759
N-ethyl-2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67512148
N-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 103602479

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yloxymethoxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate?
The IUPAC name of pyridin-2-yloxymethoxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate (CID 164739782) is pyridin-2-yloxymethoxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate.
What is the SMILES notation for pyridin-2-yloxymethoxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate?
The canonical SMILES for pyridin-2-yloxymethoxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate is O=C(OCOCOc1ccccn1)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of pyridin-2-yloxymethoxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate?
The InChIKey is MLEFPJQEOGIVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S2/c21-18(24-14-22-13-23-17-7-1-2-8-19-17)20(11-15-5-3-9-25-15)12-16-6-4-10-26-16/h1-10H,11-14H2.
What are the key properties of pyridin-2-yloxymethoxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate?
pyridin-2-yloxymethoxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate has a molecular weight of 390.49 g/mol, XLogP of 4.35, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yloxymethoxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate is sourced from PubChem (CID 164739782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).