[5-[bis(thiophen-2-ylmethyl)carbamoyloxymethoxy]-3-pyridinyl]oxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate

C29H27N3O6S4 — CID 164739552

IUPAC[5-[bis(thiophen-2-ylmethyl)carbamoyloxymethoxy]-3-pyridinyl]oxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate
SMILESO=C(OCOc1cncc(OCOC(=O)N(Cc2cccs2)Cc2cccs2)c1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C29H27N3O6S4/c33-28(31(16-24-5-1-9-39-24)17-25-6-2-10-40-25)37-20-35-22-13-23(15-30-14-22)36-21-38-29(34)32(18-26-7-3-11-41-26)19-27-8-4-12-42-27/h1-15H,16-21H2
InChIKeyBRXYETDPDMZDIM-UHFFFAOYSA-N
MW641.82 g/mol
LogP7.68
Rot. Bonds14

About [5-[bis(thiophen-2-ylmethyl)carbamoyloxymethoxy]-3-pyridinyl]oxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate

[5-[bis(thiophen-2-ylmethyl)carbamoyloxymethoxy]-3-pyridinyl]oxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate (PubChem CID 164739552) has the molecular formula C29H27N3O6S4 and a molecular weight of 641.82 g/mol. Its IUPAC name is [5-[bis(thiophen-2-ylmethyl)carbamoyloxymethoxy]-3-pyridinyl]oxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate.

Molecular Properties

Compound Name[5-[bis(thiophen-2-ylmethyl)carbamoyloxymethoxy]-3-pyridinyl]oxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate
PubChem CID164739552
Molecular FormulaC29H27N3O6S4
Molecular Weight641.82 g/mol
Exact Mass641.08
IUPAC Name[5-[bis(thiophen-2-ylmethyl)carbamoyloxymethoxy]-3-pyridinyl]oxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate
SMILESO=C(OCOc1cncc(OCOC(=O)N(Cc2cccs2)Cc2cccs2)c1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C29H27N3O6S4/c33-28(31(16-24-5-1-9-39-24)17-25-6-2-10-40-25)37-20-35-22-13-23(15-30-14-22)36-21-38-29(34)32(18-26-7-3-11-41-26)19-27-8-4-12-42-27/h1-15H,16-21H2
InChIKeyBRXYETDPDMZDIM-UHFFFAOYSA-N
XLogP7.68
TPSA90.43 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500641.82
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze [5-[bis(thiophen-2-ylmethyl)carbamoyloxymethoxy]-3-pyridinyl]oxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyridin-2-yloxymethoxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate
CID 164739782
5-(thiophen-2-ylmethoxy)pyridine-3-carboxylic acid
CID 63851353
2-[bis(thiophen-2-ylmethyl)carbamoyloxy]ethylcarbamic acid
CID 118113439
[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate
CID 134567543
2,2,2-trifluoro-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 62490776
ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate
CID 166273196
N-ethyl-2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67512148
2-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61329037
2-(2-oxochromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 33122488
2-(1,3-benzodioxol-5-yloxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 67516345
[5-[bis[(4-methoxyphenyl)methyl]amino]-3-[bis[(4-methoxyphenyl)methyl]carbamoyl]-2-[bis(thiophen-2-ylmethyl)carbamoyloxy]-5-oxopentyl] N,N-bis(thiophen-2-ylmethyl)carbamate
CID 87945107
2-(3-aminophenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 61035595

Frequently Asked Questions

What is the IUPAC name of [5-[bis(thiophen-2-ylmethyl)carbamoyloxymethoxy]-3-pyridinyl]oxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate?
The IUPAC name of [5-[bis(thiophen-2-ylmethyl)carbamoyloxymethoxy]-3-pyridinyl]oxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate (CID 164739552) is [5-[bis(thiophen-2-ylmethyl)carbamoyloxymethoxy]-3-pyridinyl]oxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate.
What is the SMILES notation for [5-[bis(thiophen-2-ylmethyl)carbamoyloxymethoxy]-3-pyridinyl]oxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate?
The canonical SMILES for [5-[bis(thiophen-2-ylmethyl)carbamoyloxymethoxy]-3-pyridinyl]oxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate is O=C(OCOc1cncc(OCOC(=O)N(Cc2cccs2)Cc2cccs2)c1)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of [5-[bis(thiophen-2-ylmethyl)carbamoyloxymethoxy]-3-pyridinyl]oxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate?
The InChIKey is BRXYETDPDMZDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O6S4/c33-28(31(16-24-5-1-9-39-24)17-25-6-2-10-40-25)37-20-35-22-13-23(15-30-14-22)36-21-38-29(34)32(18-26-7-3-11-41-26)19-27-8-4-12-42-27/h1-15H,16-21H2.
What are the key properties of [5-[bis(thiophen-2-ylmethyl)carbamoyloxymethoxy]-3-pyridinyl]oxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate?
[5-[bis(thiophen-2-ylmethyl)carbamoyloxymethoxy]-3-pyridinyl]oxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate has a molecular weight of 641.82 g/mol, XLogP of 7.68, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[bis(thiophen-2-ylmethyl)carbamoyloxymethoxy]-3-pyridinyl]oxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate is sourced from PubChem (CID 164739552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).