N-[3-(dimethylamino)propyl]-5-(4-hydroxybut-1-ynyl)-N-methylthiophene-2-carboxamide

C15H22N2O2S — CID 63699675

IUPACN-[3-(dimethylamino)propyl]-5-(4-hydroxybut-1-ynyl)-N-methylthiophene-2-carboxamide
SMILESCN(C)CCCN(C)C(=O)c1ccc(C#CCCO)s1
InChIInChI=1S/C15H22N2O2S/c1-16(2)10-6-11-17(3)15(19)14-9-8-13(20-14)7-4-5-12-18/h8-9,18H,5-6,10-12H2,1-3H3
InChIKeyOCQJVFMMOFPFQN-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.51
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-5-(4-hydroxybut-1-ynyl)-N-methylthiophene-2-carboxamide

N-[3-(dimethylamino)propyl]-5-(4-hydroxybut-1-ynyl)-N-methylthiophene-2-carboxamide (PubChem CID 63699675) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-(4-hydroxybut-1-ynyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-(4-hydroxybut-1-ynyl)-N-methylthiophene-2-carboxamide
PubChem CID63699675
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[3-(dimethylamino)propyl]-5-(4-hydroxybut-1-ynyl)-N-methylthiophene-2-carboxamide
SMILESCN(C)CCCN(C)C(=O)c1ccc(C#CCCO)s1
InChIInChI=1S/C15H22N2O2S/c1-16(2)10-6-11-17(3)15(19)14-9-8-13(20-14)7-4-5-12-18/h8-9,18H,5-6,10-12H2,1-3H3
InChIKeyOCQJVFMMOFPFQN-UHFFFAOYSA-N
XLogP1.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
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-[3-(dimethylamino)propyl]-5-(4-hydroxybut-1-ynyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-(4-hydroxybut-1-ynyl)-N-methylthiophene-2-carboxamide (CID 63699675) is N-[3-(dimethylamino)propyl]-5-(4-hydroxybut-1-ynyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-(4-hydroxybut-1-ynyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-(4-hydroxybut-1-ynyl)-N-methylthiophene-2-carboxamide is CN(C)CCCN(C)C(=O)c1ccc(C#CCCO)s1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-(4-hydroxybut-1-ynyl)-N-methylthiophene-2-carboxamide?
The InChIKey is OCQJVFMMOFPFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-16(2)10-6-11-17(3)15(19)14-9-8-13(20-14)7-4-5-12-18/h8-9,18H,5-6,10-12H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-5-(4-hydroxybut-1-ynyl)-N-methylthiophene-2-carboxamide?
N-[3-(dimethylamino)propyl]-5-(4-hydroxybut-1-ynyl)-N-methylthiophene-2-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-(4-hydroxybut-1-ynyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 63699675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).