N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-3-methylphenyl]thiophene-2-carboxamide

C23H23FN2O2S — CID 44526164

IUPACN-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-3-methylphenyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cccs2)ccc1OC1CCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C23H23FN2O2S/c1-16-13-19(25-23(27)22-3-2-12-29-22)8-9-21(16)28-20-10-11-26(15-20)14-17-4-6-18(24)7-5-17/h2-9,12-13,20H,10-11,14-15H2,1H3,(H,25,27)
InChIKeyDWZHBZATRKNQPA-UHFFFAOYSA-N
MW410.51 g/mol
LogP5.10
Rot. Bonds6

About N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-3-methylphenyl]thiophene-2-carboxamide

N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-3-methylphenyl]thiophene-2-carboxamide (PubChem CID 44526164) has the molecular formula C23H23FN2O2S and a molecular weight of 410.51 g/mol. Its IUPAC name is N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-3-methylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-3-methylphenyl]thiophene-2-carboxamide
PubChem CID44526164
Molecular FormulaC23H23FN2O2S
Molecular Weight410.51 g/mol
Exact Mass410.15
IUPAC NameN-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-3-methylphenyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cccs2)ccc1OC1CCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C23H23FN2O2S/c1-16-13-19(25-23(27)22-3-2-12-29-22)8-9-21(16)28-20-10-11-26(15-20)14-17-4-6-18(24)7-5-17/h2-9,12-13,20H,10-11,14-15H2,1H3,(H,25,27)
InChIKeyDWZHBZATRKNQPA-UHFFFAOYSA-N
XLogP5.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.51
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-[1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]oxyphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44526554
N-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxy-3-methylphenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44526153
N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide
CID 44526136
N-[3-chloro-4-[1-(3-methylbutyl)piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide
CID 44526579
N-[3-chloro-4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44526540
N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44526135
N-[3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-4-methylphenyl]quinoline-6-carboxamide;2,2,2-trifluoroacetic acid
CID 44526173
N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxyphenyl]furan-2-carboxamide
CID 44526172
N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]-4-fluorobenzamide
CID 44526994
N-[3-chloro-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-4-fluorobenzamide;2,2,2-trifluoroacetic acid
CID 44526159
N-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]thiophene-2-carboxamide
CID 10276428
3-(3-chlorophenoxy)-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-1-carboxamide
CID 71907660

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-3-methylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-3-methylphenyl]thiophene-2-carboxamide (CID 44526164) is N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-3-methylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-3-methylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-3-methylphenyl]thiophene-2-carboxamide is Cc1cc(NC(=O)c2cccs2)ccc1OC1CCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-3-methylphenyl]thiophene-2-carboxamide?
The InChIKey is DWZHBZATRKNQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2S/c1-16-13-19(25-23(27)22-3-2-12-29-22)8-9-21(16)28-20-10-11-26(15-20)14-17-4-6-18(24)7-5-17/h2-9,12-13,20H,10-11,14-15H2,1H3,(H,25,27).
What are the key properties of N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-3-methylphenyl]thiophene-2-carboxamide?
N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-3-methylphenyl]thiophene-2-carboxamide has a molecular weight of 410.51 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-3-methylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 44526164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).