N-(2-methoxyethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide

C18H18N2O3S — CID 2201317

IUPACN-(2-methoxyethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
SMILESCOCCNC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C18H18N2O3S/c1-23-9-8-19-17(21)12-20-11-14(13-5-2-3-6-15(13)20)18(22)16-7-4-10-24-16/h2-7,10-11H,8-9,12H2,1H3,(H,19,21)
InChIKeySPYVUJSKUUMUCG-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.70
Rot. Bonds7

About N-(2-methoxyethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide

N-(2-methoxyethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide (PubChem CID 2201317) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
PubChem CID2201317
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(2-methoxyethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
SMILESCOCCNC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C18H18N2O3S/c1-23-9-8-19-17(21)12-20-11-14(13-5-2-3-6-15(13)20)18(22)16-7-4-10-24-16/h2-7,10-11H,8-9,12H2,1H3,(H,19,21)
InChIKeySPYVUJSKUUMUCG-UHFFFAOYSA-N
XLogP2.70
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1-methyl-1H-indol-3-yl)-4-(thiophen-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327668
methyl 1-{2-oxo-2-[(2-thienylmethyl)amino]ethyl}-1H-indole-3-carboxylate
CID 952050
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2-thienyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507811
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(3-thienyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507830
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[7-(3-thienyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 5280243
1-(4-benzoylpiperazin-1-yl)-2-[7-(4-methyl-2-thienyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 5280248
N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
CID 9999825
3-((R)-2-Pyridin-3-yl-thiazolidine-4-carbonyl)-indole-1-carboxylic acid tert-butyl ester
CID 10476623
1-(4-fluoro-1H-indol-3-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 45486592
1-(4-fluoro-1H-indol-3-yl)-2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 45486615
N,N-dihexyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide
CID 122183512
N-[(2R,3S)-1-[2-acetyl-5-[(dimethylamino)methyl]anilino]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-4-(thiophene-2-carbonyl)piperidine-1-carboxamide
CID 145966884

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide (CID 2201317) is N-(2-methoxyethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide is COCCNC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21.
What is the InChIKey of N-(2-methoxyethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The InChIKey is SPYVUJSKUUMUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-23-9-8-19-17(21)12-20-11-14(13-5-2-3-6-15(13)20)18(22)16-7-4-10-24-16/h2-7,10-11H,8-9,12H2,1H3,(H,19,21).
What are the key properties of N-(2-methoxyethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
N-(2-methoxyethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide has a molecular weight of 342.42 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide is sourced from PubChem (CID 2201317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).