3-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide

C16H16N2O2S — CID 63799357

IUPAC3-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
SMILESCOc1cccc(N(C)C(=O)c2sccc2C#CCN)c1
InChIInChI=1S/C16H16N2O2S/c1-18(13-6-3-7-14(11-13)20-2)16(19)15-12(5-4-9-17)8-10-21-15/h3,6-8,10-11H,9,17H2,1-2H3
InChIKeyFSUFBETZOCSYKE-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.34
Rot. Bonds3

About 3-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide

3-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide (PubChem CID 63799357) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
PubChem CID63799357
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
SMILESCOc1cccc(N(C)C(=O)c2sccc2C#CCN)c1
InChIInChI=1S/C16H16N2O2S/c1-18(13-6-3-7-14(11-13)20-2)16(19)15-12(5-4-9-17)8-10-21-15/h3,6-8,10-11H,9,17H2,1-2H3
InChIKeyFSUFBETZOCSYKE-UHFFFAOYSA-N
XLogP2.34
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 62002532
3-(3-aminoprop-1-ynyl)-N-(4-ethylphenyl)-N-methylthiophene-2-carboxamide
CID 63799359
3-(3-aminoprop-1-ynyl)-N-butan-2-yl-N-methylthiophene-2-carboxamide
CID 63801444
3-(3-aminoprop-1-ynyl)-N,N-dipropylthiophene-2-carboxamide
CID 63801431
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
3-(3-aminoprop-1-ynyl)-N-ethyl-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide
CID 63800749
3-(3-hydroxyprop-1-ynyl)-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 63798690
2-amino-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 115413114
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
3-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-pentan-3-ylthiophene-2-carboxamide
CID 63799701
3-amino-N-(3-methoxyphenyl)-N,2,2,3-tetramethylbutanamide
CID 65267204
4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid
CID 62003468

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide (CID 63799357) is 3-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide is COc1cccc(N(C)C(=O)c2sccc2C#CCN)c1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide?
The InChIKey is FSUFBETZOCSYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-18(13-6-3-7-14(11-13)20-2)16(19)15-12(5-4-9-17)8-10-21-15/h3,6-8,10-11H,9,17H2,1-2H3.
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 63799357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).