N-[3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide

C22H24FN3O2S — CID 46740273

IUPACN-[3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(C(c2ccccc2F)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C22H24FN3O2S/c1-15-14-17(22(29-15)24-21(27)19-8-5-13-28-19)20(16-6-3-4-7-18(16)23)26-11-9-25(2)10-12-26/h3-8,13-14,20H,9-12H2,1-2H3,(H,24,27)
InChIKeyDTQNXVUJUICYGW-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.38
Rot. Bonds5

About N-[3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide

N-[3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide (PubChem CID 46740273) has the molecular formula C22H24FN3O2S and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
PubChem CID46740273
Molecular FormulaC22H24FN3O2S
Molecular Weight413.52 g/mol
Exact Mass413.16
IUPAC NameN-[3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(C(c2ccccc2F)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C22H24FN3O2S/c1-15-14-17(22(29-15)24-21(27)19-8-5-13-28-19)20(16-6-3-4-7-18(16)23)26-11-9-25(2)10-12-26/h3-8,13-14,20H,9-12H2,1-2H3,(H,24,27)
InChIKeyDTQNXVUJUICYGW-UHFFFAOYSA-N
XLogP4.38
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 46740268
N-[5-methyl-3-[(S)-(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 93479399
N-[3-[(S)-(2-chlorophenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 93478845
N-[5-ethyl-3-[(R)-(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479415
N-[5-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 93478860
N-[5-methyl-3-[piperidin-1-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 46740008
N-[5-ethyl-3-[(S)-(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479418
N-[5-ethyl-3-[(R)-(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479417
N-[5-methyl-3-[morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 46740131
N-[3-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93479410
ethyl 1-[(2-chlorophenyl)-[2-(furan-2-carbonylamino)-5-methylthiophen-3-yl]methyl]piperidine-4-carboxylate
CID 46740242
N-[3-[(R)-(3-chlorophenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 93478843

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide (CID 46740273) is N-[3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide is Cc1cc(C(c2ccccc2F)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1.
What is the InChIKey of N-[3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is DTQNXVUJUICYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2S/c1-15-14-17(22(29-15)24-21(27)19-8-5-13-28-19)20(16-6-3-4-7-18(16)23)26-11-9-25(2)10-12-26/h3-8,13-14,20H,9-12H2,1-2H3,(H,24,27).
What are the key properties of N-[3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide?
N-[3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 46740273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).