N-butyl-2-methyl-1-(4-phenylthiophene-2-carbonyl)azetidine-2-carboxamide

C20H24N2O2S — CID 46943553

IUPACN-butyl-2-methyl-1-(4-phenylthiophene-2-carbonyl)azetidine-2-carboxamide
SMILESCCCCNC(=O)C1(C)CCN1C(=O)c1cc(-c2ccccc2)cs1
InChIInChI=1S/C20H24N2O2S/c1-3-4-11-21-19(24)20(2)10-12-22(20)18(23)17-13-16(14-25-17)15-8-6-5-7-9-15/h5-9,13-14H,3-4,10-12H2,1-2H3,(H,21,24)
InChIKeyZOSWNRJVZFGAJB-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.94
Rot. Bonds6

About N-butyl-2-methyl-1-(4-phenylthiophene-2-carbonyl)azetidine-2-carboxamide

N-butyl-2-methyl-1-(4-phenylthiophene-2-carbonyl)azetidine-2-carboxamide (PubChem CID 46943553) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-butyl-2-methyl-1-(4-phenylthiophene-2-carbonyl)azetidine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-2-methyl-1-(4-phenylthiophene-2-carbonyl)azetidine-2-carboxamide
PubChem CID46943553
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-butyl-2-methyl-1-(4-phenylthiophene-2-carbonyl)azetidine-2-carboxamide
SMILESCCCCNC(=O)C1(C)CCN1C(=O)c1cc(-c2ccccc2)cs1
InChIInChI=1S/C20H24N2O2S/c1-3-4-11-21-19(24)20(2)10-12-22(20)18(23)17-13-16(14-25-17)15-8-6-5-7-9-15/h5-9,13-14H,3-4,10-12H2,1-2H3,(H,21,24)
InChIKeyZOSWNRJVZFGAJB-UHFFFAOYSA-N
XLogP3.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-1-(4-phenylthiophene-2-carbonyl)azetidine-2-carboxamide?
The IUPAC name of N-butyl-2-methyl-1-(4-phenylthiophene-2-carbonyl)azetidine-2-carboxamide (CID 46943553) is N-butyl-2-methyl-1-(4-phenylthiophene-2-carbonyl)azetidine-2-carboxamide.
What is the SMILES notation for N-butyl-2-methyl-1-(4-phenylthiophene-2-carbonyl)azetidine-2-carboxamide?
The canonical SMILES for N-butyl-2-methyl-1-(4-phenylthiophene-2-carbonyl)azetidine-2-carboxamide is CCCCNC(=O)C1(C)CCN1C(=O)c1cc(-c2ccccc2)cs1.
What is the InChIKey of N-butyl-2-methyl-1-(4-phenylthiophene-2-carbonyl)azetidine-2-carboxamide?
The InChIKey is ZOSWNRJVZFGAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-3-4-11-21-19(24)20(2)10-12-22(20)18(23)17-13-16(14-25-17)15-8-6-5-7-9-15/h5-9,13-14H,3-4,10-12H2,1-2H3,(H,21,24).
What are the key properties of N-butyl-2-methyl-1-(4-phenylthiophene-2-carbonyl)azetidine-2-carboxamide?
N-butyl-2-methyl-1-(4-phenylthiophene-2-carbonyl)azetidine-2-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-1-(4-phenylthiophene-2-carbonyl)azetidine-2-carboxamide is sourced from PubChem (CID 46943553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).