4-[2-(1-benzothiophen-3-yl)acetyl]-N-(2-chlorophenyl)piperazine-1-carboxamide

C21H20ClN3O2S — CID 46292798

IUPAC4-[2-(1-benzothiophen-3-yl)acetyl]-N-(2-chlorophenyl)piperazine-1-carboxamide
SMILESO=C(Cc1csc2ccccc12)N1CCN(C(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C21H20ClN3O2S/c22-17-6-2-3-7-18(17)23-21(27)25-11-9-24(10-12-25)20(26)13-15-14-28-19-8-4-1-5-16(15)19/h1-8,14H,9-13H2,(H,23,27)
InChIKeyMJWRZMNPGCWUFD-UHFFFAOYSA-N
MW413.93 g/mol
LogP4.47
Rot. Bonds3

About 4-[2-(1-benzothiophen-3-yl)acetyl]-N-(2-chlorophenyl)piperazine-1-carboxamide

4-[2-(1-benzothiophen-3-yl)acetyl]-N-(2-chlorophenyl)piperazine-1-carboxamide (PubChem CID 46292798) has the molecular formula C21H20ClN3O2S and a molecular weight of 413.93 g/mol. Its IUPAC name is 4-[2-(1-benzothiophen-3-yl)acetyl]-N-(2-chlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(1-benzothiophen-3-yl)acetyl]-N-(2-chlorophenyl)piperazine-1-carboxamide
PubChem CID46292798
Molecular FormulaC21H20ClN3O2S
Molecular Weight413.93 g/mol
Exact Mass413.10
IUPAC Name4-[2-(1-benzothiophen-3-yl)acetyl]-N-(2-chlorophenyl)piperazine-1-carboxamide
SMILESO=C(Cc1csc2ccccc12)N1CCN(C(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C21H20ClN3O2S/c22-17-6-2-3-7-18(17)23-21(27)25-11-9-24(10-12-25)20(26)13-15-14-28-19-8-4-1-5-16(15)19/h1-8,14H,9-13H2,(H,23,27)
InChIKeyMJWRZMNPGCWUFD-UHFFFAOYSA-N
XLogP4.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(1-benzothiophen-3-yl)acetyl]-N-(2-chlorophenyl)piperazine-1-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

4-[2-(1-benzothiophen-3-yl)acetyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 46292824
N-(2-chlorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 78802177
1-(1-benzothiophen-3-ylcarbamoyl)piperidine-4-carboxylic acid
CID 122089108
2-(1-benzothiophen-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 46261254
N-(2-chlorophenyl)-6-azaspiro[2.5]octane-6-carboxamide
CID 97374347
N-(2-chlorophenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113109911
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
N-(2-chlorophenyl)-4-[(2,3-dibromophenyl)methyl]piperazine-1-carboxamide
CID 141151957
N-(2-chlorophenyl)-4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 51250491
3-[1-[2-(1-benzothiophen-3-yl)acetyl]piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137159068
4-[(2S)-1-amino-1-oxopropan-2-yl]-N-(2-chlorophenyl)piperazine-1-carboxamide
CID 96536494
4-[(2R)-1-amino-1-oxopropan-2-yl]-N-(2-chlorophenyl)piperazine-1-carboxamide
CID 96536495

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-benzothiophen-3-yl)acetyl]-N-(2-chlorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(1-benzothiophen-3-yl)acetyl]-N-(2-chlorophenyl)piperazine-1-carboxamide (CID 46292798) is 4-[2-(1-benzothiophen-3-yl)acetyl]-N-(2-chlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(1-benzothiophen-3-yl)acetyl]-N-(2-chlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(1-benzothiophen-3-yl)acetyl]-N-(2-chlorophenyl)piperazine-1-carboxamide is O=C(Cc1csc2ccccc12)N1CCN(C(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of 4-[2-(1-benzothiophen-3-yl)acetyl]-N-(2-chlorophenyl)piperazine-1-carboxamide?
The InChIKey is MJWRZMNPGCWUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2S/c22-17-6-2-3-7-18(17)23-21(27)25-11-9-24(10-12-25)20(26)13-15-14-28-19-8-4-1-5-16(15)19/h1-8,14H,9-13H2,(H,23,27).
What are the key properties of 4-[2-(1-benzothiophen-3-yl)acetyl]-N-(2-chlorophenyl)piperazine-1-carboxamide?
4-[2-(1-benzothiophen-3-yl)acetyl]-N-(2-chlorophenyl)piperazine-1-carboxamide has a molecular weight of 413.93 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-benzothiophen-3-yl)acetyl]-N-(2-chlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 46292798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).