N-[2-(dimethylamino)phenyl]-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide

C16H16N2O2S — CID 106760628

IUPACN-[2-(dimethylamino)phenyl]-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
SMILESCN(C)c1ccccc1NC(=O)c1ccc(C#CCO)s1
InChIInChI=1S/C16H16N2O2S/c1-18(2)14-8-4-3-7-13(14)17-16(20)15-10-9-12(21-15)6-5-11-19/h3-4,7-10,19H,11H2,1-2H3,(H,17,20)
InChIKeyOCZFDYYWHKEGSF-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.41
Rot. Bonds3

About N-[2-(dimethylamino)phenyl]-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide

N-[2-(dimethylamino)phenyl]-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide (PubChem CID 106760628) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)phenyl]-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)phenyl]-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
PubChem CID106760628
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[2-(dimethylamino)phenyl]-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
SMILESCN(C)c1ccccc1NC(=O)c1ccc(C#CCO)s1
InChIInChI=1S/C16H16N2O2S/c1-18(2)14-8-4-3-7-13(14)17-16(20)15-10-9-12(21-15)6-5-11-19/h3-4,7-10,19H,11H2,1-2H3,(H,17,20)
InChIKeyOCZFDYYWHKEGSF-UHFFFAOYSA-N
XLogP2.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)phenyl]-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)phenyl]-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide (CID 106760628) is N-[2-(dimethylamino)phenyl]-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)phenyl]-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)phenyl]-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide is CN(C)c1ccccc1NC(=O)c1ccc(C#CCO)s1.
What is the InChIKey of N-[2-(dimethylamino)phenyl]-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The InChIKey is OCZFDYYWHKEGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-18(2)14-8-4-3-7-13(14)17-16(20)15-10-9-12(21-15)6-5-11-19/h3-4,7-10,19H,11H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(dimethylamino)phenyl]-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
N-[2-(dimethylamino)phenyl]-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)phenyl]-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide is sourced from PubChem (CID 106760628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).