2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide

C16H18N2O3S — CID 95904070

IUPAC2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide
SMILESCC[C@H](COc1ccccc1)NC(=O)c1cc(C(N)=O)cs1
InChIInChI=1S/C16H18N2O3S/c1-2-12(9-21-13-6-4-3-5-7-13)18-16(20)14-8-11(10-22-14)15(17)19/h3-8,10,12H,2,9H2,1H3,(H2,17,19)(H,18,20)/t12-/m1/s1
InChIKeyVKQFYQMCAMROTB-GFCCVEGCSA-N
MW318.40 g/mol
LogP2.43
Rot. Bonds7

About 2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide

2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide (PubChem CID 95904070) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide
PubChem CID95904070
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide
SMILESCC[C@H](COc1ccccc1)NC(=O)c1cc(C(N)=O)cs1
InChIInChI=1S/C16H18N2O3S/c1-2-12(9-21-13-6-4-3-5-7-13)18-16(20)14-8-11(10-22-14)15(17)19/h3-8,10,12H,2,9H2,1H3,(H2,17,19)(H,18,20)/t12-/m1/s1
InChIKeyVKQFYQMCAMROTB-GFCCVEGCSA-N
XLogP2.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide?
The IUPAC name of 2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide (CID 95904070) is 2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide?
The canonical SMILES for 2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide is CC[C@H](COc1ccccc1)NC(=O)c1cc(C(N)=O)cs1.
What is the InChIKey of 2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide?
The InChIKey is VKQFYQMCAMROTB-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-2-12(9-21-13-6-4-3-5-7-13)18-16(20)14-8-11(10-22-14)15(17)19/h3-8,10,12H,2,9H2,1H3,(H2,17,19)(H,18,20)/t12-/m1/s1.
What are the key properties of 2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide?
2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide is sourced from PubChem (CID 95904070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).