5-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]thiophene-3-carboxamide

C15H17FN2O2S — CID 79611660

IUPAC5-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]thiophene-3-carboxamide
SMILESCOc1ccc(C(C)NCc2cc(C(N)=O)cs2)cc1F
InChIInChI=1S/C15H17FN2O2S/c1-9(10-3-4-14(20-2)13(16)6-10)18-7-12-5-11(8-21-12)15(17)19/h3-6,8-9,18H,7H2,1-2H3,(H2,17,19)
InChIKeyIWPWVJBWBOFHSP-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.85
Rot. Bonds6

About 5-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]thiophene-3-carboxamide

5-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]thiophene-3-carboxamide (PubChem CID 79611660) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]thiophene-3-carboxamide
PubChem CID79611660
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name5-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]thiophene-3-carboxamide
SMILESCOc1ccc(C(C)NCc2cc(C(N)=O)cs2)cc1F
InChIInChI=1S/C15H17FN2O2S/c1-9(10-3-4-14(20-2)13(16)6-10)18-7-12-5-11(8-21-12)15(17)19/h3-6,8-9,18H,7H2,1-2H3,(H2,17,19)
InChIKeyIWPWVJBWBOFHSP-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]thiophene-3-carboxamide
CID 96526651
5-[[1-(4-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613364
5-[[1-(3-hydroxyphenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79614281
methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate
CID 79613507
5-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613995
N-[(4-bromothiophen-2-yl)methyl]-1-(3,4-dimethoxyphenyl)ethanamine
CID 60961440
1-(3-fluoro-4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60777008
5-[(4-fluoro-2-methoxyanilino)methyl]thiophene-3-carboxamide
CID 79614297
1-(3-fluoro-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63279811
5-[[[(1S)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]thiophene-3-carboxamide
CID 125134343
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
5-[(1-methoxybutan-2-ylamino)methyl]thiophene-3-carboxamide
CID 79613799

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]thiophene-3-carboxamide (CID 79611660) is 5-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]thiophene-3-carboxamide is COc1ccc(C(C)NCc2cc(C(N)=O)cs2)cc1F.
What is the InChIKey of 5-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]thiophene-3-carboxamide?
The InChIKey is IWPWVJBWBOFHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-9(10-3-4-14(20-2)13(16)6-10)18-7-12-5-11(8-21-12)15(17)19/h3-6,8-9,18H,7H2,1-2H3,(H2,17,19).
What are the key properties of 5-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]thiophene-3-carboxamide?
5-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]thiophene-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79611660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).