N-[(4-fluorophenyl)methyl]-4-(furan-2-carbonyl)-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

C24H24FN3O5S — CID 43995364

IUPACN-[(4-fluorophenyl)methyl]-4-(furan-2-carbonyl)-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C24H24FN3O5S/c1-18-4-10-21(11-5-18)34(31,32)28(17-19-6-8-20(25)9-7-19)24(30)27-14-12-26(13-15-27)23(29)22-3-2-16-33-22/h2-11,16H,12-15,17H2,1H3
InChIKeyDCEGGYBOIHUBKG-UHFFFAOYSA-N
MW485.54 g/mol
LogP3.50
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-4-(furan-2-carbonyl)-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

N-[(4-fluorophenyl)methyl]-4-(furan-2-carbonyl)-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 43995364) has the molecular formula C24H24FN3O5S and a molecular weight of 485.54 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(furan-2-carbonyl)-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(furan-2-carbonyl)-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
PubChem CID43995364
Molecular FormulaC24H24FN3O5S
Molecular Weight485.54 g/mol
Exact Mass485.14
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(furan-2-carbonyl)-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C24H24FN3O5S/c1-18-4-10-21(11-5-18)34(31,32)28(17-19-6-8-20(25)9-7-19)24(30)27-14-12-26(13-15-27)23(29)22-3-2-16-33-22/h2-11,16H,12-15,17H2,1H3
InChIKeyDCEGGYBOIHUBKG-UHFFFAOYSA-N
XLogP3.50
TPSA91.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
CID 43995446
N-[(4-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 7388130
4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 34472481
[4-[2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 51045458
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 17477799
1-(4-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide
CID 110397730
3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one
CID 110355835
N-[(1S)-1-(4-fluorophenyl)sulfonyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 42558382
N-benzyl-N-[1-(4-fluorophenyl)-3-methylbuta-1,2-dienyl]-4-methylbenzenesulfonamide
CID 71530826
(2R)-N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide
CID 9431809
N-[1-(4-fluorophenyl)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 51170789
2-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 113197394

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(furan-2-carbonyl)-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(furan-2-carbonyl)-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (CID 43995364) is N-[(4-fluorophenyl)methyl]-4-(furan-2-carbonyl)-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(furan-2-carbonyl)-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(furan-2-carbonyl)-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is Cc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(furan-2-carbonyl)-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is DCEGGYBOIHUBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O5S/c1-18-4-10-21(11-5-18)34(31,32)28(17-19-6-8-20(25)9-7-19)24(30)27-14-12-26(13-15-27)23(29)22-3-2-16-33-22/h2-11,16H,12-15,17H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(furan-2-carbonyl)-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-4-(furan-2-carbonyl)-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(furan-2-carbonyl)-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 43995364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).