5-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide

C14H15FN2OS — CID 82171998

IUPAC5-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
SMILESNCc1ccc(C(=O)NCCc2ccc(F)cc2)s1
InChIInChI=1S/C14H15FN2OS/c15-11-3-1-10(2-4-11)7-8-17-14(18)13-6-5-12(9-16)19-13/h1-6H,7-9,16H2,(H,17,18)
InChIKeyAITPLWQJHCSAQI-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.32
Rot. Bonds5

About 5-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide

5-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide (PubChem CID 82171998) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
PubChem CID82171998
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name5-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
SMILESNCc1ccc(C(=O)NCCc2ccc(F)cc2)s1
InChIInChI=1S/C14H15FN2OS/c15-11-3-1-10(2-4-11)7-8-17-14(18)13-6-5-12(9-16)19-13/h1-6H,7-9,16H2,(H,17,18)
InChIKeyAITPLWQJHCSAQI-UHFFFAOYSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 9392714
5-(azidomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 134163038
4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]pyridine-2-carboxamide
CID 59856937
2,6-dichloro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 1122033
N-[2-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 17172904
N-[2-(4-fluorophenyl)ethyl]-1,2-oxazole-5-carboxamide
CID 110693584
5-[3,5-bis[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]-1-N,3-N-bis[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 10605421
5-(azidomethyl)-N-[2-(4-bromophenyl)ethyl]thiophene-2-carboxamide
CID 134163067
N-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465627
4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 11131484
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide (CID 82171998) is 5-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide is NCc1ccc(C(=O)NCCc2ccc(F)cc2)s1.
What is the InChIKey of 5-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is AITPLWQJHCSAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c15-11-3-1-10(2-4-11)7-8-17-14(18)13-6-5-12(9-16)19-13/h1-6H,7-9,16H2,(H,17,18).
What are the key properties of 5-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide?
5-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 82171998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).