2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide

C21H28ClN3O3 — CID 51628719

IUPAC2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
SMILESCc1ccc([C@H](CNC(=O)COc2ccc(Cl)c(C)c2)N2CCN(C)CC2)o1
InChIInChI=1S/C21H28ClN3O3/c1-15-12-17(5-6-18(15)22)27-14-21(26)23-13-19(20-7-4-16(2)28-20)25-10-8-24(3)9-11-25/h4-7,12,19H,8-11,13-14H2,1-3H3,(H,23,26)/t19-/m0/s1
InChIKeyCTLRSUYJRJLORX-IBGZPJMESA-N
MW405.93 g/mol
LogP3.03
Rot. Bonds7

About 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide (PubChem CID 51628719) has the molecular formula C21H28ClN3O3 and a molecular weight of 405.93 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
PubChem CID51628719
Molecular FormulaC21H28ClN3O3
Molecular Weight405.93 g/mol
Exact Mass405.18
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
SMILESCc1ccc([C@H](CNC(=O)COc2ccc(Cl)c(C)c2)N2CCN(C)CC2)o1
InChIInChI=1S/C21H28ClN3O3/c1-15-12-17(5-6-18(15)22)27-14-21(26)23-13-19(20-7-4-16(2)28-20)25-10-8-24(3)9-11-25/h4-7,12,19H,8-11,13-14H2,1-3H3,(H,23,26)/t19-/m0/s1
InChIKeyCTLRSUYJRJLORX-IBGZPJMESA-N
XLogP3.03
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]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

2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 26834699
2-(4-chloro-3-methylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride
CID 146052575
2-(3-chlorophenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 51927031
2-(4-chlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride
CID 146052569
2-(4-chloro-3-methylphenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 8799085
2-(3,4-dimethylphenoxy)-N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 51628683
2-(3-fluorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 18164161
2-(2-chloro-5-methylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 18164100
2-(2,5-dichlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 18164234
2-(2-chlorophenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 26834691
N-[(2S)-2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 34953202
N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
CID 26834553

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide (CID 51628719) is 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide is Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)c(C)c2)N2CCN(C)CC2)o1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is CTLRSUYJRJLORX-IBGZPJMESA-N. The full InChI is InChI=1S/C21H28ClN3O3/c1-15-12-17(5-6-18(15)22)27-14-21(26)23-13-19(20-7-4-16(2)28-20)25-10-8-24(3)9-11-25/h4-7,12,19H,8-11,13-14H2,1-3H3,(H,23,26)/t19-/m0/s1.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 405.93 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 51628719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).