3-cyclopropyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide

C18H21NO4S — CID 51095402

IUPAC3-cyclopropyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide
SMILESCOCCOc1cc(NC(=O)c2sccc2C2CC2)ccc1OC
InChIInChI=1S/C18H21NO4S/c1-21-8-9-23-16-11-13(5-6-15(16)22-2)19-18(20)17-14(7-10-24-17)12-3-4-12/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,19,20)
InChIKeyKAZGJEIBPLIQJL-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.91
Rot. Bonds8

About 3-cyclopropyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide

3-cyclopropyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide (PubChem CID 51095402) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-cyclopropyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide
PubChem CID51095402
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name3-cyclopropyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide
SMILESCOCCOc1cc(NC(=O)c2sccc2C2CC2)ccc1OC
InChIInChI=1S/C18H21NO4S/c1-21-8-9-23-16-11-13(5-6-15(16)22-2)19-18(20)17-14(7-10-24-17)12-3-4-12/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,19,20)
InChIKeyKAZGJEIBPLIQJL-UHFFFAOYSA-N
XLogP3.91
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.91
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

N-(3-carbamoyl-4-fluorophenyl)-3-cyclopropylthiophene-2-carboxamide
CID 138997507
2-(4-fluorophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55624281
2-(2-aminoethyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 120622378
(2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
CID 119289355
2,6-dichloro-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyridine-4-carboxamide
CID 86930838
3-cyclopropyl-N-methylthiophene-2-carboxamide
CID 130634247
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55911805
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]thiophene-2-carboxamide
CID 22459278
4-ethyl-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 100652190
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119289352
2-(4-butylphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]acetamide
CID 55624153
1-ethyl-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1-[(2S)-3-methylbutan-2-yl]urea
CID 95198688

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide (CID 51095402) is 3-cyclopropyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide is COCCOc1cc(NC(=O)c2sccc2C2CC2)ccc1OC.
What is the InChIKey of 3-cyclopropyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide?
The InChIKey is KAZGJEIBPLIQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-21-8-9-23-16-11-13(5-6-15(16)22-2)19-18(20)17-14(7-10-24-17)12-3-4-12/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,19,20).
What are the key properties of 3-cyclopropyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide?
3-cyclopropyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 51095402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).