4-(2,5-difluorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide

C22H28F2N4O3S — CID 55575736

IUPAC4-(2,5-difluorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide
SMILESCCN(CCCNC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)c1ccccc1
InChIInChI=1S/C22H28F2N4O3S/c1-2-26(19-7-4-3-5-8-19)12-6-11-25-22(29)27-13-15-28(16-14-27)32(30,31)21-17-18(23)9-10-20(21)24/h3-5,7-10,17H,2,6,11-16H2,1H3,(H,25,29)
InChIKeyLBWQCKVDKQUYPU-UHFFFAOYSA-N
MW466.55 g/mol
LogP2.90
Rot. Bonds8

About 4-(2,5-difluorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide

4-(2,5-difluorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide (PubChem CID 55575736) has the molecular formula C22H28F2N4O3S and a molecular weight of 466.55 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide
PubChem CID55575736
Molecular FormulaC22H28F2N4O3S
Molecular Weight466.55 g/mol
Exact Mass466.19
IUPAC Name4-(2,5-difluorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide
SMILESCCN(CCCNC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)c1ccccc1
InChIInChI=1S/C22H28F2N4O3S/c1-2-26(19-7-4-3-5-8-19)12-6-11-25-22(29)27-13-15-28(16-14-27)32(30,31)21-17-18(23)9-10-20(21)24/h3-5,7-10,17H,2,6,11-16H2,1H3,(H,25,29)
InChIKeyLBWQCKVDKQUYPU-UHFFFAOYSA-N
XLogP2.90
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(benzenesulfonyl)-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide
CID 52570210
1-(2,5-dichlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]piperidine-4-carboxamide
CID 41278246
N-butyl-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 26630104
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one
CID 18289403
4-(benzenesulfonyl)-N-[3-[benzyl(methyl)amino]propyl]piperazine-1-carboxamide
CID 52570185
4-chloro-N-[3-(N-ethylanilino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 24550601
4-(4-fluoro-2-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
CID 110811098
N-[2-(4-fluorophenyl)ethyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 27532247
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 17451454
N-[3-(N-ethylanilino)propyl]-2,4-difluorobenzenesulfonamide
CID 38257263
N-[4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-4-oxobutyl]-2,4-difluorobenzamide
CID 26418691
4-(4-fluoro-2-methylphenyl)sulfonyl-N-propyl-1,4-diazepane-1-carboxamide
CID 110811980

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,5-difluorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide (CID 55575736) is 4-(2,5-difluorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,5-difluorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,5-difluorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide is CCN(CCCNC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)c1ccccc1.
What is the InChIKey of 4-(2,5-difluorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide?
The InChIKey is LBWQCKVDKQUYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N4O3S/c1-2-26(19-7-4-3-5-8-19)12-6-11-25-22(29)27-13-15-28(16-14-27)32(30,31)21-17-18(23)9-10-20(21)24/h3-5,7-10,17H,2,6,11-16H2,1H3,(H,25,29).
What are the key properties of 4-(2,5-difluorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide?
4-(2,5-difluorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide has a molecular weight of 466.55 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 55575736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).