N-(4-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide

C22H18N2O2S — CID 5043393

IUPACN-(4-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2cc(C(=O)c3cccs3)c3ccccc32)cc1
InChIInChI=1S/C22H18N2O2S/c1-15-8-10-16(11-9-15)23-21(25)14-24-13-18(17-5-2-3-6-19(17)24)22(26)20-7-4-12-27-20/h2-13H,14H2,1H3,(H,23,25)
InChIKeyDUIGUBPYGJHEHT-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.88
Rot. Bonds5

About N-(4-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide

N-(4-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide (PubChem CID 5043393) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
PubChem CID5043393
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC NameN-(4-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2cc(C(=O)c3cccs3)c3ccccc32)cc1
InChIInChI=1S/C22H18N2O2S/c1-15-8-10-16(11-9-15)23-21(25)14-24-13-18(17-5-2-3-6-19(17)24)22(26)20-7-4-12-27-20/h2-13H,14H2,1H3,(H,23,25)
InChIKeyDUIGUBPYGJHEHT-UHFFFAOYSA-N
XLogP4.88
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide 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-(3,5-dichlorophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 4027629
N-cyclopropyl-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 2974463
N-(2-phenylethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 1298670
methyl 1-[2-oxo-2-[3-(thiophene-2-carbonylamino)anilino]ethyl]indole-3-carboxylate
CID 29335276
2-(3-benzoylindol-1-yl)-N-(4-bromophenyl)acetamide
CID 2953380
1-(2,6-dimethylpiperidin-1-yl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]ethanone
CID 3619438
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(4-methylphenyl)-2-oxoacetamide
CID 18562288
2-(3-acetylindol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 1088565
methyl 1-[2-oxo-2-[4-(phenylcarbamoylamino)anilino]ethyl]indole-3-carboxylate
CID 46553530
[1-(2-phenoxyethyl)indol-3-yl]-thiophen-2-ylmethanone
CID 965825
N-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858691
N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide (CID 5043393) is N-(4-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide is Cc1ccc(NC(=O)Cn2cc(C(=O)c3cccs3)c3ccccc32)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The InChIKey is DUIGUBPYGJHEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-15-8-10-16(11-9-15)23-21(25)14-24-13-18(17-5-2-3-6-19(17)24)22(26)20-7-4-12-27-20/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of N-(4-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
N-(4-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide has a molecular weight of 374.47 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide is sourced from PubChem (CID 5043393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).