N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide

C26H30FN3O5S — CID 20859714

IUPACN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
SMILESCOc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)o1
InChIInChI=1S/C26H30FN3O5S/c1-34-23-5-2-3-6-25(23)36(32,33)19-22-11-12-24(35-22)26(31)28-13-4-14-29-15-17-30(18-16-29)21-9-7-20(27)8-10-21/h2-3,5-12H,4,13-19H2,1H3,(H,28,31)
InChIKeyLPWVSYOHQVFURV-UHFFFAOYSA-N
MW515.61 g/mol
LogP3.34
Rot. Bonds10

About N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide (PubChem CID 20859714) has the molecular formula C26H30FN3O5S and a molecular weight of 515.61 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
PubChem CID20859714
Molecular FormulaC26H30FN3O5S
Molecular Weight515.61 g/mol
Exact Mass515.19
IUPAC NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
SMILESCOc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)o1
InChIInChI=1S/C26H30FN3O5S/c1-34-23-5-2-3-6-25(23)36(32,33)19-22-11-12-24(35-22)26(31)28-13-4-14-29-15-17-30(18-16-29)21-9-7-20(27)8-10-21/h2-3,5-12H,4,13-19H2,1H3,(H,28,31)
InChIKeyLPWVSYOHQVFURV-UHFFFAOYSA-N
XLogP3.34
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.61
LogP ≤ 53.34
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

N-benzyl-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859695
N-[(2-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 3242702
5-ethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]furan-2-carboxamide
CID 55861118
N-[(4-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 5068893
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
CID 42266552
N-[(4-fluorophenyl)methyl]-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
CID 42850815
4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224820
[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 5308528
1-[2-(4-fluorophenyl)ethyl]-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea
CID 39977337
2-ethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-1-carboxamide
CID 42224836
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)propanamide
CID 42224826
3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 31568208

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide?
The IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide (CID 20859714) is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide is COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)o1.
What is the InChIKey of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide?
The InChIKey is LPWVSYOHQVFURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O5S/c1-34-23-5-2-3-6-25(23)36(32,33)19-22-11-12-24(35-22)26(31)28-13-4-14-29-15-17-30(18-16-29)21-9-7-20(27)8-10-21/h2-3,5-12H,4,13-19H2,1H3,(H,28,31).
What are the key properties of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide?
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide has a molecular weight of 515.61 g/mol, XLogP of 3.34, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide is sourced from PubChem (CID 20859714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).