5-fluoro-N-[1-(1H-indol-3-yl)hexan-2-yl]-6-(4-methylpiperazin-1-yl)-1-benzothiophene-2-carboxamide

C28H33FN4OS — CID 168966338

IUPAC5-fluoro-N-[1-(1H-indol-3-yl)hexan-2-yl]-6-(4-methylpiperazin-1-yl)-1-benzothiophene-2-carboxamide
SMILESCCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cc2cc(F)c(N3CCN(C)CC3)cc2s1
InChIInChI=1S/C28H33FN4OS/c1-3-4-7-21(14-20-18-30-24-9-6-5-8-22(20)24)31-28(34)27-16-19-15-23(29)25(17-26(19)35-27)33-12-10-32(2)11-13-33/h5-6,8-9,15-18,21,30H,3-4,7,10-14H2,1-2H3,(H,31,34)
InChIKeyNLOQCHWXUGBNMR-UHFFFAOYSA-N
MW492.66 g/mol
LogP5.80
Rot. Bonds8

About 5-fluoro-N-[1-(1H-indol-3-yl)hexan-2-yl]-6-(4-methylpiperazin-1-yl)-1-benzothiophene-2-carboxamide

5-fluoro-N-[1-(1H-indol-3-yl)hexan-2-yl]-6-(4-methylpiperazin-1-yl)-1-benzothiophene-2-carboxamide (PubChem CID 168966338) has the molecular formula C28H33FN4OS and a molecular weight of 492.66 g/mol. Its IUPAC name is 5-fluoro-N-[1-(1H-indol-3-yl)hexan-2-yl]-6-(4-methylpiperazin-1-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[1-(1H-indol-3-yl)hexan-2-yl]-6-(4-methylpiperazin-1-yl)-1-benzothiophene-2-carboxamide
PubChem CID168966338
Molecular FormulaC28H33FN4OS
Molecular Weight492.66 g/mol
Exact Mass492.24
IUPAC Name5-fluoro-N-[1-(1H-indol-3-yl)hexan-2-yl]-6-(4-methylpiperazin-1-yl)-1-benzothiophene-2-carboxamide
SMILESCCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cc2cc(F)c(N3CCN(C)CC3)cc2s1
InChIInChI=1S/C28H33FN4OS/c1-3-4-7-21(14-20-18-30-24-9-6-5-8-22(20)24)31-28(34)27-16-19-15-23(29)25(17-26(19)35-27)33-12-10-32(2)11-13-33/h5-6,8-9,15-18,21,30H,3-4,7,10-14H2,1-2H3,(H,31,34)
InChIKeyNLOQCHWXUGBNMR-UHFFFAOYSA-N
XLogP5.80
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.66
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-N-[1-(1H-indol-3-yl)hexan-2-yl]-6-(4-methylpiperazin-1-yl)-1-benzothiophene-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

N-[1-(1H-indol-3-yl)hexan-2-yl]-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide
CID 118286090
6-(6-hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)-N-[1-(1H-indol-3-yl)hexan-2-yl]-1-benzothiophene-2-carboxamide
CID 168966348
2-(4-methylpiperazin-1-yl)-N-[6,6,6-trifluoro-1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide
CID 118286148
2-(3,4-dimethylpiperazin-1-yl)-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide
CID 126509667
N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide
CID 126509183
N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methylpyrazol-3-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide
CID 135279677
3-[4-(2-fluoroethyl)piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 126537316
N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carboxamide
CID 135262698
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide;molecular hydrogen
CID 142405211
5-[4-(2-fluoroethyl)piperazin-1-yl]-N-[1-(1H-indol-3-yl)pentan-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 126536774
N-[1-(1H-indol-3-yl)hexan-2-yl]-3-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1H-1,2,4-triazole-5-carboxamide
CID 126537468
N-[1-(1H-indol-3-yl)hexan-2-yl]-3-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazole-5-carboxamide
CID 126537367

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-(1H-indol-3-yl)hexan-2-yl]-6-(4-methylpiperazin-1-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-fluoro-N-[1-(1H-indol-3-yl)hexan-2-yl]-6-(4-methylpiperazin-1-yl)-1-benzothiophene-2-carboxamide (CID 168966338) is 5-fluoro-N-[1-(1H-indol-3-yl)hexan-2-yl]-6-(4-methylpiperazin-1-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[1-(1H-indol-3-yl)hexan-2-yl]-6-(4-methylpiperazin-1-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[1-(1H-indol-3-yl)hexan-2-yl]-6-(4-methylpiperazin-1-yl)-1-benzothiophene-2-carboxamide is CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cc2cc(F)c(N3CCN(C)CC3)cc2s1.
What is the InChIKey of 5-fluoro-N-[1-(1H-indol-3-yl)hexan-2-yl]-6-(4-methylpiperazin-1-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is NLOQCHWXUGBNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN4OS/c1-3-4-7-21(14-20-18-30-24-9-6-5-8-22(20)24)31-28(34)27-16-19-15-23(29)25(17-26(19)35-27)33-12-10-32(2)11-13-33/h5-6,8-9,15-18,21,30H,3-4,7,10-14H2,1-2H3,(H,31,34).
What are the key properties of 5-fluoro-N-[1-(1H-indol-3-yl)hexan-2-yl]-6-(4-methylpiperazin-1-yl)-1-benzothiophene-2-carboxamide?
5-fluoro-N-[1-(1H-indol-3-yl)hexan-2-yl]-6-(4-methylpiperazin-1-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 492.66 g/mol, XLogP of 5.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-(1H-indol-3-yl)hexan-2-yl]-6-(4-methylpiperazin-1-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 168966338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).