N-[4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide

C18H21N3O4S2 — CID 108569277

IUPACN-[4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cccs3)CC2)cc1
InChIInChI=1S/C18H21N3O4S2/c1-14(22)19-15-4-6-17(7-5-15)27(24,25)21-10-8-20(9-11-21)18(23)13-16-3-2-12-26-16/h2-7,12H,8-11,13H2,1H3,(H,19,22)
InChIKeyBOCCJKDQILOJKA-UHFFFAOYSA-N
MW407.52 g/mol
LogP1.78
Rot. Bonds5

About N-[4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 108569277) has the molecular formula C18H21N3O4S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID108569277
Molecular FormulaC18H21N3O4S2
Molecular Weight407.52 g/mol
Exact Mass407.10
IUPAC NameN-[4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cccs3)CC2)cc1
InChIInChI=1S/C18H21N3O4S2/c1-14(22)19-15-4-6-17(7-5-15)27(24,25)21-10-8-20(9-11-21)18(23)13-16-3-2-12-26-16/h2-7,12H,8-11,13H2,1H3,(H,19,22)
InChIKeyBOCCJKDQILOJKA-UHFFFAOYSA-N
XLogP1.78
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]sulfonylphenyl]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

1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 8922837
N-[4-[4-(2-thiophen-2-ylacetyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110802540
N-[4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 3497946
N-(4-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 1305863
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 33176973
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 9369420
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
CID 139066606
N-[4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide
CID 3573154
N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
CID 8614889
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 2458753

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 108569277) is N-[4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cccs3)CC2)cc1.
What is the InChIKey of N-[4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is BOCCJKDQILOJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S2/c1-14(22)19-15-4-6-17(7-5-15)27(24,25)21-10-8-20(9-11-21)18(23)13-16-3-2-12-26-16/h2-7,12H,8-11,13H2,1H3,(H,19,22).
What are the key properties of N-[4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 407.52 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 108569277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).