N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide

C18H23N3O2S — CID 110668031

IUPACN-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(N2CCN(C)CC2)cc1NC(=O)Cc1cccs1
InChIInChI=1S/C18H23N3O2S/c1-20-7-9-21(10-8-20)14-5-6-17(23-2)16(12-14)19-18(22)13-15-4-3-11-24-15/h3-6,11-12H,7-10,13H2,1-2H3,(H,19,22)
InChIKeyKVHLAMOJONASSY-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.69
Rot. Bonds5

About N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide

N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 110668031) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID110668031
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(N2CCN(C)CC2)cc1NC(=O)Cc1cccs1
InChIInChI=1S/C18H23N3O2S/c1-20-7-9-21(10-8-20)14-5-6-17(23-2)16(12-14)19-18(22)13-15-4-3-11-24-15/h3-6,11-12H,7-10,13H2,1-2H3,(H,19,22)
InChIKeyKVHLAMOJONASSY-UHFFFAOYSA-N
XLogP2.69
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 110668062
4-methoxy-3-[(2-thiophen-2-ylacetyl)amino]benzoic acid
CID 63742917
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 7744758
N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-thiophen-2-ylacetamide
CID 140896289
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-2-ylacetamide
CID 33159236
N-(2-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide
CID 18139931
5-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid
CID 50782145
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 39911925
N-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]-2-thiophen-2-ylacetamide
CID 112984453
2-(4-chlorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylphenyl)acetamide
CID 110362005
N-(5-chloro-2-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109008899
5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid
CID 50782780

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide (CID 110668031) is N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide is COc1ccc(N2CCN(C)CC2)cc1NC(=O)Cc1cccs1.
What is the InChIKey of N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is KVHLAMOJONASSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-20-7-9-21(10-8-20)14-5-6-17(23-2)16(12-14)19-18(22)13-15-4-3-11-24-15/h3-6,11-12H,7-10,13H2,1-2H3,(H,19,22).
What are the key properties of N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide?
N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 345.47 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110668031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).