2-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid

C14H15NO4S2 — CID 61329037

IUPAC2-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C14H15NO4S2/c16-13(9-19-10-14(17)18)15(7-11-3-1-5-20-11)8-12-4-2-6-21-12/h1-6H,7-10H2,(H,17,18)
InChIKeyPZWNFEPXLWETFF-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.44
Rot. Bonds8

About 2-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid

2-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid (PubChem CID 61329037) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid
PubChem CID61329037
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name2-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C14H15NO4S2/c16-13(9-19-10-14(17)18)15(7-11-3-1-5-20-11)8-12-4-2-6-21-12/h1-6H,7-10H2,(H,17,18)
InChIKeyPZWNFEPXLWETFF-UHFFFAOYSA-N
XLogP2.44
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethoxy]acetic acid
CID 79476518
[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate
CID 134567543
N-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 103602479
2-[2-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 61329457
2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 46995819
ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate
CID 166273196
2-[4-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 168975865
2-(2-cyanophenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 31837477
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropanoic acid
CID 62232437
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
2-[bis(thiophen-2-ylmethyl)carbamoyloxy]ethylcarbamic acid
CID 118113439
2-(4-pyridin-2-yloxyphenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 31841903

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid (CID 61329037) is 2-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 2-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is PZWNFEPXLWETFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c16-13(9-19-10-14(17)18)15(7-11-3-1-5-20-11)8-12-4-2-6-21-12/h1-6H,7-10H2,(H,17,18).
What are the key properties of 2-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid?
2-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 325.41 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61329037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).