N-(5-chloro-2-pyridinyl)-2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide

C20H17Cl3N4O2S — CID 22196762

IUPACN-(5-chloro-2-pyridinyl)-2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C20H17Cl3N4O2S/c21-12-1-3-14-15(9-12)30-19(18(14)23)20(29)27-7-5-26(6-8-27)11-17(28)25-16-4-2-13(22)10-24-16/h1-4,9-10H,5-8,11H2,(H,24,25,28)
InChIKeySAVFTUIJUDLZFG-UHFFFAOYSA-N
MW483.81 g/mol
LogP4.65
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide

N-(5-chloro-2-pyridinyl)-2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 22196762) has the molecular formula C20H17Cl3N4O2S and a molecular weight of 483.81 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID22196762
Molecular FormulaC20H17Cl3N4O2S
Molecular Weight483.81 g/mol
Exact Mass482.01
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C20H17Cl3N4O2S/c21-12-1-3-14-15(9-12)30-19(18(14)23)20(29)27-7-5-26(6-8-27)11-17(28)25-16-4-2-13(22)10-24-16/h1-4,9-10H,5-8,11H2,(H,24,25,28)
InChIKeySAVFTUIJUDLZFG-UHFFFAOYSA-N
XLogP4.65
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.81
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-2-pyridinyl)-2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide with MolForge

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Related Compounds

N-(3-chlorophenyl)-2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 22196684
2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 22196687
2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 22196702
2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 22196717
N-(3-acetylphenyl)-2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 22196721
N-(3-cyanothiophen-2-yl)-2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 22196757
ethyl 5-carbamoyl-2-[[2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate
CID 22196672
(3,6-dichloro-1-benzothiophen-2-yl)-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 22196659
1-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 17249025
2-[4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 22196786
N-(5-chloro-2-pyridinyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 4692251
2-(4-benzoyl-1,4-diazepan-1-yl)-N-(5-chloro-2-pyridinyl)acetamide
CID 86923565

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide (CID 22196762) is N-(5-chloro-2-pyridinyl)-2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is SAVFTUIJUDLZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl3N4O2S/c21-12-1-3-14-15(9-12)30-19(18(14)23)20(29)27-7-5-26(6-8-27)11-17(28)25-16-4-2-13(22)10-24-16/h1-4,9-10H,5-8,11H2,(H,24,25,28).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide?
N-(5-chloro-2-pyridinyl)-2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 483.81 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 22196762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).