ethyl 2-[2-[2-[4-(2-ethoxyethoxy)phenyl]ethylcarbamoyl]thiophen-3-yl]acetate

C21H27NO5S — CID 67928368

IUPACethyl 2-[2-[2-[4-(2-ethoxyethoxy)phenyl]ethylcarbamoyl]thiophen-3-yl]acetate
SMILESCCOCCOc1ccc(CCNC(=O)c2sccc2CC(=O)OCC)cc1
InChIInChI=1S/C21H27NO5S/c1-3-25-12-13-27-18-7-5-16(6-8-18)9-11-22-21(24)20-17(10-14-28-20)15-19(23)26-4-2/h5-8,10,14H,3-4,9,11-13,15H2,1-2H3,(H,22,24)
InChIKeyRVRYGURWNBZINZ-UHFFFAOYSA-N
MW405.52 g/mol
LogP3.24
Rot. Bonds12

About ethyl 2-[2-[2-[4-(2-ethoxyethoxy)phenyl]ethylcarbamoyl]thiophen-3-yl]acetate

ethyl 2-[2-[2-[4-(2-ethoxyethoxy)phenyl]ethylcarbamoyl]thiophen-3-yl]acetate (PubChem CID 67928368) has the molecular formula C21H27NO5S and a molecular weight of 405.52 g/mol. Its IUPAC name is ethyl 2-[2-[2-[4-(2-ethoxyethoxy)phenyl]ethylcarbamoyl]thiophen-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-[4-(2-ethoxyethoxy)phenyl]ethylcarbamoyl]thiophen-3-yl]acetate
PubChem CID67928368
Molecular FormulaC21H27NO5S
Molecular Weight405.52 g/mol
Exact Mass405.16
IUPAC Nameethyl 2-[2-[2-[4-(2-ethoxyethoxy)phenyl]ethylcarbamoyl]thiophen-3-yl]acetate
SMILESCCOCCOc1ccc(CCNC(=O)c2sccc2CC(=O)OCC)cc1
InChIInChI=1S/C21H27NO5S/c1-3-25-12-13-27-18-7-5-16(6-8-18)9-11-22-21(24)20-17(10-14-28-20)15-19(23)26-4-2/h5-8,10,14H,3-4,9,11-13,15H2,1-2H3,(H,22,24)
InChIKeyRVRYGURWNBZINZ-UHFFFAOYSA-N
XLogP3.24
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 2-[2-[2-[4-(2-ethoxyethoxy)phenyl]ethylcarbamoyl]thiophen-3-yl]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-[2-(4-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide
CID 63237534
4-(2-ethoxyethoxy)-N-(2-phenylethyl)benzamide
CID 17112545
acetic acid;N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide
CID 67928404
2-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethylcarbamic acid
CID 135240470
N-[2-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-ethylpyridine-2-carboxamide acetate
CID 19825209
ethyl 2-[[4-(2-ethoxyethoxy)benzoyl]-methylamino]acetate
CID 54785152
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659
1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
CID 70366041
N-[2-(4-chlorophenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 27646619
N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyethoxy)benzamide;hydrochloride
CID 119549073
ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate
CID 28574259
N-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 108505219

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-[4-(2-ethoxyethoxy)phenyl]ethylcarbamoyl]thiophen-3-yl]acetate?
The IUPAC name of ethyl 2-[2-[2-[4-(2-ethoxyethoxy)phenyl]ethylcarbamoyl]thiophen-3-yl]acetate (CID 67928368) is ethyl 2-[2-[2-[4-(2-ethoxyethoxy)phenyl]ethylcarbamoyl]thiophen-3-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[2-[4-(2-ethoxyethoxy)phenyl]ethylcarbamoyl]thiophen-3-yl]acetate?
The canonical SMILES for ethyl 2-[2-[2-[4-(2-ethoxyethoxy)phenyl]ethylcarbamoyl]thiophen-3-yl]acetate is CCOCCOc1ccc(CCNC(=O)c2sccc2CC(=O)OCC)cc1.
What is the InChIKey of ethyl 2-[2-[2-[4-(2-ethoxyethoxy)phenyl]ethylcarbamoyl]thiophen-3-yl]acetate?
The InChIKey is RVRYGURWNBZINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5S/c1-3-25-12-13-27-18-7-5-16(6-8-18)9-11-22-21(24)20-17(10-14-28-20)15-19(23)26-4-2/h5-8,10,14H,3-4,9,11-13,15H2,1-2H3,(H,22,24).
What are the key properties of ethyl 2-[2-[2-[4-(2-ethoxyethoxy)phenyl]ethylcarbamoyl]thiophen-3-yl]acetate?
ethyl 2-[2-[2-[4-(2-ethoxyethoxy)phenyl]ethylcarbamoyl]thiophen-3-yl]acetate has a molecular weight of 405.52 g/mol, XLogP of 3.24, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-[4-(2-ethoxyethoxy)phenyl]ethylcarbamoyl]thiophen-3-yl]acetate is sourced from PubChem (CID 67928368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).