ethyl 2-[(3-methylthiophen-2-yl)methyl-(phenylcarbamoyl)amino]acetate

C17H20N2O3S — CID 4187952

IUPACethyl 2-[(3-methylthiophen-2-yl)methyl-(phenylcarbamoyl)amino]acetate
SMILESCCOC(=O)CN(Cc1sccc1C)C(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2O3S/c1-3-22-16(20)12-19(11-15-13(2)9-10-23-15)17(21)18-14-7-5-4-6-8-14/h4-10H,3,11-12H2,1-2H3,(H,18,21)
InChIKeyRWIJZZWNBLKWNH-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.65
Rot. Bonds6

About ethyl 2-[(3-methylthiophen-2-yl)methyl-(phenylcarbamoyl)amino]acetate

ethyl 2-[(3-methylthiophen-2-yl)methyl-(phenylcarbamoyl)amino]acetate (PubChem CID 4187952) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is ethyl 2-[(3-methylthiophen-2-yl)methyl-(phenylcarbamoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-methylthiophen-2-yl)methyl-(phenylcarbamoyl)amino]acetate
PubChem CID4187952
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Nameethyl 2-[(3-methylthiophen-2-yl)methyl-(phenylcarbamoyl)amino]acetate
SMILESCCOC(=O)CN(Cc1sccc1C)C(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2O3S/c1-3-22-16(20)12-19(11-15-13(2)9-10-23-15)17(21)18-14-7-5-4-6-8-14/h4-10H,3,11-12H2,1-2H3,(H,18,21)
InChIKeyRWIJZZWNBLKWNH-UHFFFAOYSA-N
XLogP3.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(3-methylthiophen-2-yl)methyl-(phenylcarbamoyl)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

N-benzyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3438236
1-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1-(2-pyridin-2-ylethyl)urea
CID 42703373
N-benzyl-2-[(4-bromophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4252734
ethyl 4-[[[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-cyclohexylcarbamoyl]amino]benzoate
CID 3427225
N-benzyl-2-[cyclopropyl-[(4-methylphenyl)carbamoyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 46114415
N-benzyl-2-[(4-bromophenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 1031313
N-benzyl-2-[(3-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4662279
N-benzyl-2-[butan-2-yl-[(4-cyanophenyl)carbamoyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 5075383
ethyl 2-[(4-chlorophenyl)carbamoyl-ethylamino]acetate
CID 54900426
N-benzyl-2-[(4-methylsulfanylphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3498164
N-benzyl-2-[(3-bromophenyl)carbamoyl-butan-2-ylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 5063835
N-benzyl-2-[(4-cyanophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3507684

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-methylthiophen-2-yl)methyl-(phenylcarbamoyl)amino]acetate?
The IUPAC name of ethyl 2-[(3-methylthiophen-2-yl)methyl-(phenylcarbamoyl)amino]acetate (CID 4187952) is ethyl 2-[(3-methylthiophen-2-yl)methyl-(phenylcarbamoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-methylthiophen-2-yl)methyl-(phenylcarbamoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3-methylthiophen-2-yl)methyl-(phenylcarbamoyl)amino]acetate is CCOC(=O)CN(Cc1sccc1C)C(=O)Nc1ccccc1.
What is the InChIKey of ethyl 2-[(3-methylthiophen-2-yl)methyl-(phenylcarbamoyl)amino]acetate?
The InChIKey is RWIJZZWNBLKWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-3-22-16(20)12-19(11-15-13(2)9-10-23-15)17(21)18-14-7-5-4-6-8-14/h4-10H,3,11-12H2,1-2H3,(H,18,21).
What are the key properties of ethyl 2-[(3-methylthiophen-2-yl)methyl-(phenylcarbamoyl)amino]acetate?
ethyl 2-[(3-methylthiophen-2-yl)methyl-(phenylcarbamoyl)amino]acetate has a molecular weight of 332.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-methylthiophen-2-yl)methyl-(phenylcarbamoyl)amino]acetate is sourced from PubChem (CID 4187952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).