5-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide

C16H16N2O2S — CID 62002532

IUPAC5-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
SMILESCOc1cccc(N(C)C(=O)c2ccc(C#CCN)s2)c1
InChIInChI=1S/C16H16N2O2S/c1-18(12-5-3-6-13(11-12)20-2)16(19)15-9-8-14(21-15)7-4-10-17/h3,5-6,8-9,11H,10,17H2,1-2H3
InChIKeyAIRVODBJLOGOQS-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.34
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide (PubChem CID 62002532) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
PubChem CID62002532
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
SMILESCOc1cccc(N(C)C(=O)c2ccc(C#CCN)s2)c1
InChIInChI=1S/C16H16N2O2S/c1-18(12-5-3-6-13(11-12)20-2)16(19)15-9-8-14(21-15)7-4-10-17/h3,5-6,8-9,11H,10,17H2,1-2H3
InChIKeyAIRVODBJLOGOQS-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

3-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 63799357
5-(3-aminoprop-1-ynyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 61074964
5-(3-aminoprop-1-ynyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide
CID 61075838
5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
CID 63208989
5-(3-aminoprop-1-ynyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-2-carboxamide
CID 113476135
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
5-(3-aminoprop-1-ynyl)-N',N'-dimethylthiophene-2-carbohydrazide
CID 83023048
3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid
CID 22132899
5-(3-aminoprop-1-ynyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide
CID 55012421
2-amino-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 115413114
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
3-amino-N-(3-methoxyphenyl)-N,2,2,3-tetramethylbutanamide
CID 65267204

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide (CID 62002532) is 5-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide is COc1cccc(N(C)C(=O)c2ccc(C#CCN)s2)c1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide?
The InChIKey is AIRVODBJLOGOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-18(12-5-3-6-13(11-12)20-2)16(19)15-9-8-14(21-15)7-4-10-17/h3,5-6,8-9,11H,10,17H2,1-2H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide?
5-(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 5-(3-aminoprop-1-ynyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 62002532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).