5-acetyl-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)thiophene-2-carboxamide

C20H21NO2S — CID 50949877

IUPAC5-acetyl-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)N(CC#Cc2ccccc2)CC(C)C)s1
InChIInChI=1S/C20H21NO2S/c1-15(2)14-21(13-7-10-17-8-5-4-6-9-17)20(23)19-12-11-18(24-19)16(3)22/h4-6,8-9,11-12,15H,13-14H2,1-3H3
InChIKeyCZQLTNUVTDHCPG-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.10
Rot. Bonds5

About 5-acetyl-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)thiophene-2-carboxamide

5-acetyl-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)thiophene-2-carboxamide (PubChem CID 50949877) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is 5-acetyl-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)thiophene-2-carboxamide
PubChem CID50949877
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC Name5-acetyl-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)N(CC#Cc2ccccc2)CC(C)C)s1
InChIInChI=1S/C20H21NO2S/c1-15(2)14-21(13-7-10-17-8-5-4-6-9-17)20(23)19-12-11-18(24-19)16(3)22/h4-6,8-9,11-12,15H,13-14H2,1-3H3
InChIKeyCZQLTNUVTDHCPG-UHFFFAOYSA-N
XLogP4.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-acetyl-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)thiophene-2-carboxamide 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

2-methyl-N-(2-methylpropyl)-6-oxo-N-(3-phenylprop-2-ynyl)-1H-pyrimidine-5-carboxamide
CID 50953976
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)acetamide
CID 46989307
N-(3-phenylprop-2-ynyl)-2-propan-2-yloxy-N-propylacetamide
CID 46988385
5-acetyl-N-[(1R)-2-(dimethylamino)-1-phenylethyl]thiophene-2-carboxamide
CID 8938472
3-(3-aminoprop-1-ynyl)-N,N-bis(2-methylpropyl)benzamide
CID 61378884
5-acetyl-N-[(2S)-2-phenylpropyl]thiophene-2-carboxamide
CID 9090014
4-methylpent-1-ynylbenzene
CID 12861410
N-(2-cyanoethyl)-5-ethyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 54940591
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 61075114
5-acetyl-N-(3-phenylpropyl)thiophene-2-carboxamide
CID 36843403
2-(dimethylamino)-1-[5-(2-phenylethynyl)thiophen-2-yl]ethanone
CID 170895613
but-1-ynylbenzene;2-methylprop-1-ene
CID 164573656

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)thiophene-2-carboxamide (CID 50949877) is 5-acetyl-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)N(CC#Cc2ccccc2)CC(C)C)s1.
What is the InChIKey of 5-acetyl-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)thiophene-2-carboxamide?
The InChIKey is CZQLTNUVTDHCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S/c1-15(2)14-21(13-7-10-17-8-5-4-6-9-17)20(23)19-12-11-18(24-19)16(3)22/h4-6,8-9,11-12,15H,13-14H2,1-3H3.
What are the key properties of 5-acetyl-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)thiophene-2-carboxamide?
5-acetyl-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)thiophene-2-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(2-methylpropyl)-N-(3-phenylprop-2-ynyl)thiophene-2-carboxamide is sourced from PubChem (CID 50949877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).