4-(3-ethyl-1,2-oxazol-5-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide

C22H28N4O3S2 — CID 50835113

IUPAC4-(3-ethyl-1,2-oxazol-5-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
SMILESCCc1cc(-c2csc(S(=O)(=O)NCCCN3CCN(c4ccccc4)CC3)c2)on1
InChIInChI=1S/C22H28N4O3S2/c1-2-19-16-21(29-24-19)18-15-22(30-17-18)31(27,28)23-9-6-10-25-11-13-26(14-12-25)20-7-4-3-5-8-20/h3-5,7-8,15-17,23H,2,6,9-14H2,1H3
InChIKeyJUCIVEGHECUPBW-UHFFFAOYSA-N
MW460.63 g/mol
LogP3.46
Rot. Bonds9

About 4-(3-ethyl-1,2-oxazol-5-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide

4-(3-ethyl-1,2-oxazol-5-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide (PubChem CID 50835113) has the molecular formula C22H28N4O3S2 and a molecular weight of 460.63 g/mol. Its IUPAC name is 4-(3-ethyl-1,2-oxazol-5-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(3-ethyl-1,2-oxazol-5-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
PubChem CID50835113
Molecular FormulaC22H28N4O3S2
Molecular Weight460.63 g/mol
Exact Mass460.16
IUPAC Name4-(3-ethyl-1,2-oxazol-5-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
SMILESCCc1cc(-c2csc(S(=O)(=O)NCCCN3CCN(c4ccccc4)CC3)c2)on1
InChIInChI=1S/C22H28N4O3S2/c1-2-19-16-21(29-24-19)18-15-22(30-17-18)31(27,28)23-9-6-10-25-11-13-26(14-12-25)20-7-4-3-5-8-20/h3-5,7-8,15-17,23H,2,6,9-14H2,1H3
InChIKeyJUCIVEGHECUPBW-UHFFFAOYSA-N
XLogP3.46
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.63
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
CID 42389169
5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
CID 42389179
4-(3-ethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)thiophene-2-sulfonamide
CID 46393030
4-ethoxy-3,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42389225
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 20936585
3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42389147
N-benzyl-4-(3-ethyl-1,2-oxazol-5-yl)-N-propan-2-ylthiophene-2-sulfonamide
CID 50835263
4-N-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,4-disulfonamide
CID 55641989
N-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42389145
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-sulfonamide
CID 42389425
ethyl 4-[[4-(3-ethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate
CID 50835221
N-(3-ethoxypropyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 46393004

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1,2-oxazol-5-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide?
The IUPAC name of 4-(3-ethyl-1,2-oxazol-5-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide (CID 50835113) is 4-(3-ethyl-1,2-oxazol-5-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-(3-ethyl-1,2-oxazol-5-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-(3-ethyl-1,2-oxazol-5-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide is CCc1cc(-c2csc(S(=O)(=O)NCCCN3CCN(c4ccccc4)CC3)c2)on1.
What is the InChIKey of 4-(3-ethyl-1,2-oxazol-5-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide?
The InChIKey is JUCIVEGHECUPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3S2/c1-2-19-16-21(29-24-19)18-15-22(30-17-18)31(27,28)23-9-6-10-25-11-13-26(14-12-25)20-7-4-3-5-8-20/h3-5,7-8,15-17,23H,2,6,9-14H2,1H3.
What are the key properties of 4-(3-ethyl-1,2-oxazol-5-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide?
4-(3-ethyl-1,2-oxazol-5-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide has a molecular weight of 460.63 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,2-oxazol-5-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 50835113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).