ethane;ethyl 2-[ethoxycarbonyl(1-thiophen-2-ylbutan-2-yl)amino]acetate

C17H29NO4S — CID 143786390

IUPACethane;ethyl 2-[ethoxycarbonyl(1-thiophen-2-ylbutan-2-yl)amino]acetate
SMILESCC.CCOC(=O)CN(C(=O)OCC)C(CC)Cc1cccs1
InChIInChI=1S/C15H23NO4S.C2H6/c1-4-12(10-13-8-7-9-21-13)16(15(18)20-6-3)11-14(17)19-5-2;1-2/h7-9,12H,4-6,10-11H2,1-3H3;1-2H3
InChIKeyOVOVQKGNCNYQAN-UHFFFAOYSA-N
MW343.49 g/mol
LogP4.12
Rot. Bonds8

About ethane;ethyl 2-[ethoxycarbonyl(1-thiophen-2-ylbutan-2-yl)amino]acetate

ethane;ethyl 2-[ethoxycarbonyl(1-thiophen-2-ylbutan-2-yl)amino]acetate (PubChem CID 143786390) has the molecular formula C17H29NO4S and a molecular weight of 343.49 g/mol. Its IUPAC name is ethane;ethyl 2-[ethoxycarbonyl(1-thiophen-2-ylbutan-2-yl)amino]acetate.

Molecular Properties

Compound Nameethane;ethyl 2-[ethoxycarbonyl(1-thiophen-2-ylbutan-2-yl)amino]acetate
PubChem CID143786390
Molecular FormulaC17H29NO4S
Molecular Weight343.49 g/mol
Exact Mass343.18
IUPAC Nameethane;ethyl 2-[ethoxycarbonyl(1-thiophen-2-ylbutan-2-yl)amino]acetate
SMILESCC.CCOC(=O)CN(C(=O)OCC)C(CC)Cc1cccs1
InChIInChI=1S/C15H23NO4S.C2H6/c1-4-12(10-13-8-7-9-21-13)16(15(18)20-6-3)11-14(17)19-5-2;1-2/h7-9,12H,4-6,10-11H2,1-3H3;1-2H3
InChIKeyOVOVQKGNCNYQAN-UHFFFAOYSA-N
XLogP4.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-[ethoxycarbonyl(1-thiophen-2-ylbutan-2-yl)amino]acetate?
The IUPAC name of ethane;ethyl 2-[ethoxycarbonyl(1-thiophen-2-ylbutan-2-yl)amino]acetate (CID 143786390) is ethane;ethyl 2-[ethoxycarbonyl(1-thiophen-2-ylbutan-2-yl)amino]acetate.
What is the SMILES notation for ethane;ethyl 2-[ethoxycarbonyl(1-thiophen-2-ylbutan-2-yl)amino]acetate?
The canonical SMILES for ethane;ethyl 2-[ethoxycarbonyl(1-thiophen-2-ylbutan-2-yl)amino]acetate is CC.CCOC(=O)CN(C(=O)OCC)C(CC)Cc1cccs1.
What is the InChIKey of ethane;ethyl 2-[ethoxycarbonyl(1-thiophen-2-ylbutan-2-yl)amino]acetate?
The InChIKey is OVOVQKGNCNYQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S.C2H6/c1-4-12(10-13-8-7-9-21-13)16(15(18)20-6-3)11-14(17)19-5-2;1-2/h7-9,12H,4-6,10-11H2,1-3H3;1-2H3.
What are the key properties of ethane;ethyl 2-[ethoxycarbonyl(1-thiophen-2-ylbutan-2-yl)amino]acetate?
ethane;ethyl 2-[ethoxycarbonyl(1-thiophen-2-ylbutan-2-yl)amino]acetate has a molecular weight of 343.49 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-[ethoxycarbonyl(1-thiophen-2-ylbutan-2-yl)amino]acetate is sourced from PubChem (CID 143786390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).