2-acetamido-4-ethyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]thiophene-3-carboxylic acid

C16H24N2O5S — CID 71006811

IUPAC2-acetamido-4-ethyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]thiophene-3-carboxylic acid
SMILESCCc1c(CN(C)C(=O)OC(C)(C)C)sc(NC(C)=O)c1C(=O)O
InChIInChI=1S/C16H24N2O5S/c1-7-10-11(8-18(6)15(22)23-16(3,4)5)24-13(17-9(2)19)12(10)14(20)21/h7-8H2,1-6H3,(H,17,19)(H,20,21)
InChIKeyPLWCQETWRUNEJQ-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.33
Rot. Bonds5

About 2-acetamido-4-ethyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]thiophene-3-carboxylic acid

2-acetamido-4-ethyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]thiophene-3-carboxylic acid (PubChem CID 71006811) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-acetamido-4-ethyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-acetamido-4-ethyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]thiophene-3-carboxylic acid
PubChem CID71006811
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name2-acetamido-4-ethyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]thiophene-3-carboxylic acid
SMILESCCc1c(CN(C)C(=O)OC(C)(C)C)sc(NC(C)=O)c1C(=O)O
InChIInChI=1S/C16H24N2O5S/c1-7-10-11(8-18(6)15(22)23-16(3,4)5)24-13(17-9(2)19)12(10)14(20)21/h7-8H2,1-6H3,(H,17,19)(H,20,21)
InChIKeyPLWCQETWRUNEJQ-UHFFFAOYSA-N
XLogP3.33
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-acetamido-4-ethyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]thiophene-3-carboxylic acid 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

4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 22450242
tert-butyl N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylcarbamate
CID 10775467
5-acetamido-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]thiophene-2-carboxylic acid
CID 54425267
2-methoxycarbonyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 59799802
tert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate
CID 107243019
tert-butyl N-[[10-(hydroxymethyl)anthracen-9-yl]methyl]-N-methylcarbamate
CID 86591329
tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate
CID 151880346
4-ethyl-5-methyl-2-(propanoylamino)thiophene-3-carboxylic acid
CID 843835
tert-butyl N-[[5-(2-bromoacetyl)thiophen-2-yl]methyl]-N-methylcarbamate
CID 168951101
2-bromo-4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 59404716
3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(trifluoromethyl)benzoic acid
CID 59439411
2-[acetyl-[[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]amino]acetic acid
CID 158273995

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4-ethyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]thiophene-3-carboxylic acid?
The IUPAC name of 2-acetamido-4-ethyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]thiophene-3-carboxylic acid (CID 71006811) is 2-acetamido-4-ethyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-acetamido-4-ethyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]thiophene-3-carboxylic acid?
The canonical SMILES for 2-acetamido-4-ethyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]thiophene-3-carboxylic acid is CCc1c(CN(C)C(=O)OC(C)(C)C)sc(NC(C)=O)c1C(=O)O.
What is the InChIKey of 2-acetamido-4-ethyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]thiophene-3-carboxylic acid?
The InChIKey is PLWCQETWRUNEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-7-10-11(8-18(6)15(22)23-16(3,4)5)24-13(17-9(2)19)12(10)14(20)21/h7-8H2,1-6H3,(H,17,19)(H,20,21).
What are the key properties of 2-acetamido-4-ethyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]thiophene-3-carboxylic acid?
2-acetamido-4-ethyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]thiophene-3-carboxylic acid has a molecular weight of 356.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-ethyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 71006811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).