N-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide

C16H18N2O2S — CID 108796402

IUPACN-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCN(C)c1cccc(NC(=O)CCC(=O)c2cccs2)c1
InChIInChI=1S/C16H18N2O2S/c1-18(2)13-6-3-5-12(11-13)17-16(20)9-8-14(19)15-7-4-10-21-15/h3-7,10-11H,8-9H2,1-2H3,(H,17,20)
InChIKeyKFHRUWCCHDXEPO-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.42
Rot. Bonds6

About N-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide

N-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 108796402) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID108796402
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCN(C)c1cccc(NC(=O)CCC(=O)c2cccs2)c1
InChIInChI=1S/C16H18N2O2S/c1-18(2)13-6-3-5-12(11-13)17-16(20)9-8-14(19)15-7-4-10-21-15/h3-7,10-11H,8-9H2,1-2H3,(H,17,20)
InChIKeyKFHRUWCCHDXEPO-UHFFFAOYSA-N
XLogP3.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 30806579
methyl 4-[3-(dimethylamino)anilino]-4-oxobutanoate
CID 108797566
N-ethyl-3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide
CID 17470169
N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394
4-(4-chlorophenyl)-N-[3-(dimethylamino)phenyl]-4-oxobutanamide
CID 108796869
N-(3,4-dimethoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 26695152
ethyl 4-[3-(dimethylamino)anilino]-4-oxobutanoate
CID 78910863
N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 26679935
2-hydroxy-4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzoic acid
CID 108807708
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 26712354
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9106438
4-oxo-N-(4-propylphenyl)-4-thiophen-2-ylbutanamide
CID 9294245

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide (CID 108796402) is N-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide is CN(C)c1cccc(NC(=O)CCC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is KFHRUWCCHDXEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-18(2)13-6-3-5-12(11-13)17-16(20)9-8-14(19)15-7-4-10-21-15/h3-7,10-11H,8-9H2,1-2H3,(H,17,20).
What are the key properties of N-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 302.40 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 108796402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).