N-(2,6-dichloro-3-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide

C18H21Cl2N3OS — CID 17494198

IUPACN-(2,6-dichloro-3-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
SMILESCc1ccc(Cl)c(NC(=O)CN2CCN(Cc3ccsc3)CC2)c1Cl
InChIInChI=1S/C18H21Cl2N3OS/c1-13-2-3-15(19)18(17(13)20)21-16(24)11-23-7-5-22(6-8-23)10-14-4-9-25-12-14/h2-4,9,12H,5-8,10-11H2,1H3,(H,21,24)
InChIKeyUPWUOEXGIPHOQL-UHFFFAOYSA-N
MW398.36 g/mol
LogP4.12
Rot. Bonds5

About N-(2,6-dichloro-3-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide

N-(2,6-dichloro-3-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 17494198) has the molecular formula C18H21Cl2N3OS and a molecular weight of 398.36 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
PubChem CID17494198
Molecular FormulaC18H21Cl2N3OS
Molecular Weight398.36 g/mol
Exact Mass397.08
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
SMILESCc1ccc(Cl)c(NC(=O)CN2CCN(Cc3ccsc3)CC2)c1Cl
InChIInChI=1S/C18H21Cl2N3OS/c1-13-2-3-15(19)18(17(13)20)21-16(24)11-23-7-5-22(6-8-23)10-14-4-9-25-12-14/h2-4,9,12H,5-8,10-11H2,1H3,(H,21,24)
InChIKeyUPWUOEXGIPHOQL-UHFFFAOYSA-N
XLogP4.12
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 43556501
N-(4-bromo-3-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 17491998
N-(3-chlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 17491999
N-(2,6-dichloro-3-methylphenyl)-2-(4-formylpiperidin-1-yl)acetamide
CID 62655751
N-(2,6-dichloro-3-methylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 2655408
N-(2-ethylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 17499670
N-(2,6-dichloro-3-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 9259807
ethyl 1-[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8931481
2-(4-benzylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide
CID 2697466
N-(2,6-dichloro-3-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681882
N-(3-fluorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 17451461
2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 102977279

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide (CID 17494198) is N-(2,6-dichloro-3-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide is Cc1ccc(Cl)c(NC(=O)CN2CCN(Cc3ccsc3)CC2)c1Cl.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is UPWUOEXGIPHOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3OS/c1-13-2-3-15(19)18(17(13)20)21-16(24)11-23-7-5-22(6-8-23)10-14-4-9-25-12-14/h2-4,9,12H,5-8,10-11H2,1H3,(H,21,24).
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide?
N-(2,6-dichloro-3-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 398.36 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 17494198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).