[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate

C20H24N2O5S — CID 2473672

IUPAC[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate
SMILESCC(C)Oc1ccc(C(=O)NCC(=O)OCC(=O)N(C)Cc2cccs2)cc1
InChIInChI=1S/C20H24N2O5S/c1-14(2)27-16-8-6-15(7-9-16)20(25)21-11-19(24)26-13-18(23)22(3)12-17-5-4-10-28-17/h4-10,14H,11-13H2,1-3H3,(H,21,25)
InChIKeyBYYWEWZWZQOVEU-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.47
Rot. Bonds9

About [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate

[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate (PubChem CID 2473672) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate
PubChem CID2473672
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate
SMILESCC(C)Oc1ccc(C(=O)NCC(=O)OCC(=O)N(C)Cc2cccs2)cc1
InChIInChI=1S/C20H24N2O5S/c1-14(2)27-16-8-6-15(7-9-16)20(25)21-11-19(24)26-13-18(23)22(3)12-17-5-4-10-28-17/h4-10,14H,11-13H2,1-3H3,(H,21,25)
InChIKeyBYYWEWZWZQOVEU-UHFFFAOYSA-N
XLogP2.47
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate?
The IUPAC name of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate (CID 2473672) is [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate?
The canonical SMILES for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate is CC(C)Oc1ccc(C(=O)NCC(=O)OCC(=O)N(C)Cc2cccs2)cc1.
What is the InChIKey of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate?
The InChIKey is BYYWEWZWZQOVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-14(2)27-16-8-6-15(7-9-16)20(25)21-11-19(24)26-13-18(23)22(3)12-17-5-4-10-28-17/h4-10,14H,11-13H2,1-3H3,(H,21,25).
What are the key properties of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate?
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate has a molecular weight of 404.49 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate is sourced from PubChem (CID 2473672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).