[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate

C14H15NO3S2 — CID 134567543

IUPAC[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C14H15NO3S2/c1-11(16)18-10-14(17)15(8-12-4-2-6-19-12)9-13-5-3-7-20-13/h2-7H,8-10H2,1H3
InChIKeyZQTUUVAXEVFUMP-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.90
Rot. Bonds6

About [2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate

[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate (PubChem CID 134567543) has the molecular formula C14H15NO3S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is [2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate
PubChem CID134567543
Molecular FormulaC14H15NO3S2
Molecular Weight309.41 g/mol
Exact Mass309.05
IUPAC Name[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C14H15NO3S2/c1-11(16)18-10-14(17)15(8-12-4-2-6-19-12)9-13-5-3-7-20-13/h2-7H,8-10H2,1H3
InChIKeyZQTUUVAXEVFUMP-UHFFFAOYSA-N
XLogP2.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61329037
ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate
CID 166273196
N-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 103602479
ethyl acetate;thiophen-2-ylmethanol
CID 160876049
2-bromo-3-methyl-N,N-bis(thiophen-2-ylmethyl)butanamide
CID 60953324
2-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 60606007
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119271759
ethyl acetate;2-(methoxymethyl)thiophene
CID 174707277
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
2-[4-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 168975865
2-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119268849

Frequently Asked Questions

What is the IUPAC name of [2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate?
The IUPAC name of [2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate (CID 134567543) is [2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate?
The canonical SMILES for [2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate is CC(=O)OCC(=O)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of [2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate?
The InChIKey is ZQTUUVAXEVFUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S2/c1-11(16)18-10-14(17)15(8-12-4-2-6-19-12)9-13-5-3-7-20-13/h2-7H,8-10H2,1H3.
What are the key properties of [2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate?
[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate has a molecular weight of 309.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate is sourced from PubChem (CID 134567543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).