[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate

C18H28N2O4S — CID 2578701

IUPAC[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCC(=O)N(CC(C)C)CC(C)C)s1
InChIInChI=1S/C18H28N2O4S/c1-12(2)9-20(10-13(3)4)16(21)11-24-17(22)8-19-18(23)15-7-6-14(5)25-15/h6-7,12-13H,8-11H2,1-5H3,(H,19,23)
InChIKeyOXFHFTCRRUIPSZ-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.47
Rot. Bonds9

About [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate

[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate (PubChem CID 2578701) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
PubChem CID2578701
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCC(=O)N(CC(C)C)CC(C)C)s1
InChIInChI=1S/C18H28N2O4S/c1-12(2)9-20(10-13(3)4)16(21)11-24-17(22)8-19-18(23)15-7-6-14(5)25-15/h6-7,12-13H,8-11H2,1-5H3,(H,19,23)
InChIKeyOXFHFTCRRUIPSZ-UHFFFAOYSA-N
XLogP2.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate 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

[2-(N-ethylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 2399511
[2-[(3-amino-3-oxopropyl)-benzylamino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 18276130
[(2S)-4-methylpentan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 97006868
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 4036905
(2-oxo-2-piperidin-1-ylethyl) 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 35726305
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 18209907
5-methyl-N-[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 47160134
[2-(cyclooctylamino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 4271051
methyl 3-[methyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoate
CID 61031833
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 18229368
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 9066293
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 18285612

Frequently Asked Questions

What is the IUPAC name of [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The IUPAC name of [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate (CID 2578701) is [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The canonical SMILES for [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate is Cc1ccc(C(=O)NCC(=O)OCC(=O)N(CC(C)C)CC(C)C)s1.
What is the InChIKey of [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The InChIKey is OXFHFTCRRUIPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-12(2)9-20(10-13(3)4)16(21)11-24-17(22)8-19-18(23)15-7-6-14(5)25-15/h6-7,12-13H,8-11H2,1-5H3,(H,19,23).
What are the key properties of [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate has a molecular weight of 368.50 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 2578701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).