5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide

C17H21ClN2O2S2 — CID 45192185

IUPAC5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCNC(=O)c1ccc(C2CCCN2Cc2ccc(Cl)s2)s1
InChIInChI=1S/C17H21ClN2O2S2/c1-22-10-8-19-17(21)15-6-5-14(24-15)13-3-2-9-20(13)11-12-4-7-16(18)23-12/h4-7,13H,2-3,8-11H2,1H3,(H,19,21)
InChIKeyJPPLCNVZIOOFRP-UHFFFAOYSA-N
MW384.95 g/mol
LogP4.18
Rot. Bonds7

About 5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide

5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide (PubChem CID 45192185) has the molecular formula C17H21ClN2O2S2 and a molecular weight of 384.95 g/mol. Its IUPAC name is 5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide
PubChem CID45192185
Molecular FormulaC17H21ClN2O2S2
Molecular Weight384.95 g/mol
Exact Mass384.07
IUPAC Name5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCNC(=O)c1ccc(C2CCCN2Cc2ccc(Cl)s2)s1
InChIInChI=1S/C17H21ClN2O2S2/c1-22-10-8-19-17(21)15-6-5-14(24-15)13-3-2-9-20(13)11-12-4-7-16(18)23-12/h4-7,13H,2-3,8-11H2,1H3,(H,19,21)
InChIKeyJPPLCNVZIOOFRP-UHFFFAOYSA-N
XLogP4.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide 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

methyl 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylate
CID 55134425
(3S)-1-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95206919
4-[(5-chlorothiophen-2-yl)methyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 86912545
5-[(2R)-1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide
CID 30897706
5-[(2R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 28882648
5-[(2R)-1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 30854184
1-[(5-chlorothiophen-2-yl)methyl]-2-phenylpyrrolidine
CID 55506302
5-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-N-[2-(methylsulfamoyl)ethyl]thiophene-2-carboxamide
CID 45224902
5-[1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide
CID 45206718
methyl 4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]benzoate
CID 86953310
5-[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide
CID 45245622
5-[(2S)-1-propylpyrrolidin-2-yl]-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]thiophene-2-carboxamide
CID 30956731

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
The IUPAC name of 5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide (CID 45192185) is 5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide is COCCNC(=O)c1ccc(C2CCCN2Cc2ccc(Cl)s2)s1.
What is the InChIKey of 5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
The InChIKey is JPPLCNVZIOOFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2S2/c1-22-10-8-19-17(21)15-6-5-14(24-15)13-3-2-9-20(13)11-12-4-7-16(18)23-12/h4-7,13H,2-3,8-11H2,1H3,(H,19,21).
What are the key properties of 5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide has a molecular weight of 384.95 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 45192185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).