N-[5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-methylthiophen-2-yl]furan-2-carboxamide

C23H24FN3O4S — CID 35799673

IUPACN-[5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCOc1ccc(CN2CCN(C(=O)c3sc(NC(=O)c4ccco4)cc3C)CC2)cc1F
InChIInChI=1S/C23H24FN3O4S/c1-15-12-20(25-22(28)19-4-3-11-31-19)32-21(15)23(29)27-9-7-26(8-10-27)14-16-5-6-18(30-2)17(24)13-16/h3-6,11-13H,7-10,14H2,1-2H3,(H,25,28)
InChIKeyCDFRGCLDJGSCAZ-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.01
Rot. Bonds6

About N-[5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-methylthiophen-2-yl]furan-2-carboxamide

N-[5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-methylthiophen-2-yl]furan-2-carboxamide (PubChem CID 35799673) has the molecular formula C23H24FN3O4S and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-methylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-methylthiophen-2-yl]furan-2-carboxamide
PubChem CID35799673
Molecular FormulaC23H24FN3O4S
Molecular Weight457.53 g/mol
Exact Mass457.15
IUPAC NameN-[5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCOc1ccc(CN2CCN(C(=O)c3sc(NC(=O)c4ccco4)cc3C)CC2)cc1F
InChIInChI=1S/C23H24FN3O4S/c1-15-12-20(25-22(28)19-4-3-11-31-19)32-21(15)23(29)27-9-7-26(8-10-27)14-16-5-6-18(30-2)17(24)13-16/h3-6,11-13H,7-10,14H2,1-2H3,(H,25,28)
InChIKeyCDFRGCLDJGSCAZ-UHFFFAOYSA-N
XLogP4.01
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-methylthiophen-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
CID 38374216
N-[5-[2-(4-benzylpiperazin-1-yl)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 39983594
(2,6-dimethoxyphenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110399351
[4-[3-(3-fluoro-4-methoxyphenyl)propyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 86804160
N-[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 25476963
N-[5-[(5-chloro-2-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 34754518
N-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 51297207
(2,5-dimethoxyphenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 18115973
1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354056
(2-fluoro-4-methoxyphenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 32966118
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51212932
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 32767746

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-methylthiophen-2-yl]furan-2-carboxamide (CID 35799673) is N-[5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-methylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-methylthiophen-2-yl]furan-2-carboxamide is COc1ccc(CN2CCN(C(=O)c3sc(NC(=O)c4ccco4)cc3C)CC2)cc1F.
What is the InChIKey of N-[5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is CDFRGCLDJGSCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4S/c1-15-12-20(25-22(28)19-4-3-11-31-19)32-21(15)23(29)27-9-7-26(8-10-27)14-16-5-6-18(30-2)17(24)13-16/h3-6,11-13H,7-10,14H2,1-2H3,(H,25,28).
What are the key properties of N-[5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
N-[5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-methylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4-methylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 35799673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).