N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-thiophen-2-ylacetamide

C20H27N3O3S2 — CID 42175849

IUPACN-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-thiophen-2-ylacetamide
SMILESCc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)Cc3cccs3)CC2)c1
InChIInChI=1S/C20H27N3O3S2/c1-17-5-2-6-18(15-17)22-9-11-23(12-10-22)28(25,26)14-4-8-21-20(24)16-19-7-3-13-27-19/h2-3,5-7,13,15H,4,8-12,14,16H2,1H3,(H,21,24)
InChIKeyMARMXOCUIMJBJO-UHFFFAOYSA-N
MW421.59 g/mol
LogP2.26
Rot. Bonds8

About N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-thiophen-2-ylacetamide

N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-thiophen-2-ylacetamide (PubChem CID 42175849) has the molecular formula C20H27N3O3S2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-thiophen-2-ylacetamide
PubChem CID42175849
Molecular FormulaC20H27N3O3S2
Molecular Weight421.59 g/mol
Exact Mass421.15
IUPAC NameN-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-thiophen-2-ylacetamide
SMILESCc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)Cc3cccs3)CC2)c1
InChIInChI=1S/C20H27N3O3S2/c1-17-5-2-6-18(15-17)22-9-11-23(12-10-22)28(25,26)14-4-8-21-20(24)16-19-7-3-13-27-19/h2-3,5-7,13,15H,4,8-12,14,16H2,1H3,(H,21,24)
InChIKeyMARMXOCUIMJBJO-UHFFFAOYSA-N
XLogP2.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]thiophene-2-carboxamide
CID 42175855
N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide
CID 42175850
N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-phenoxyacetamide
CID 42175822
4-tert-butyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]benzamide
CID 42175781
2-benzylsulfanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]acetamide
CID 42175839
N-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]-2-thiophen-2-ylacetamide
CID 112984453
2-(3-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide
CID 7188820
N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-2-thiophen-2-ylacetamide;hydrochloride
CID 16881362
N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide
CID 25285489
N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42175183
1-hexylsulfonyl-4-(3-methylphenyl)piperazine
CID 166955658
2-naphthalen-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175277

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-thiophen-2-ylacetamide (CID 42175849) is N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-thiophen-2-ylacetamide is Cc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)Cc3cccs3)CC2)c1.
What is the InChIKey of N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-thiophen-2-ylacetamide?
The InChIKey is MARMXOCUIMJBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S2/c1-17-5-2-6-18(15-17)22-9-11-23(12-10-22)28(25,26)14-4-8-21-20(24)16-19-7-3-13-27-19/h2-3,5-7,13,15H,4,8-12,14,16H2,1H3,(H,21,24).
What are the key properties of N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-thiophen-2-ylacetamide?
N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-thiophen-2-ylacetamide has a molecular weight of 421.59 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42175849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).