N-[3-[1-(2-fluorophenyl)ethyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide

C17H19FN2O2S — CID 46590732

IUPACN-[3-[1-(2-fluorophenyl)ethyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCC(c1ccccc1F)N(C)C(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C17H19FN2O2S/c1-12(14-5-3-4-6-15(14)18)20(2)16(21)7-9-19-17(22)13-8-10-23-11-13/h3-6,8,10-12H,7,9H2,1-2H3,(H,19,22)
InChIKeyIBODNHHLKQTKCJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.23
Rot. Bonds6

About N-[3-[1-(2-fluorophenyl)ethyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[1-(2-fluorophenyl)ethyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 46590732) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[3-[1-(2-fluorophenyl)ethyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(2-fluorophenyl)ethyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID46590732
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC NameN-[3-[1-(2-fluorophenyl)ethyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCC(c1ccccc1F)N(C)C(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C17H19FN2O2S/c1-12(14-5-3-4-6-15(14)18)20(2)16(21)7-9-19-17(22)13-8-10-23-11-13/h3-6,8,10-12H,7,9H2,1-2H3,(H,19,22)
InChIKeyIBODNHHLKQTKCJ-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 31160526
N-[3-[butan-2-yl(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 134006121
N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-3-carboxamide
CID 111566262
N-[3-[methoxy(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 60656257
N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N-methylpentanamide
CID 79200476
N-[3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 18113918
N-[3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 134013849
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 60939648
2-[carboxymethyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetic acid
CID 63645564
N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
CID 43017283
N-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 78802763
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-fluorophenyl)ethyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[1-(2-fluorophenyl)ethyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide (CID 46590732) is N-[3-[1-(2-fluorophenyl)ethyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[1-(2-fluorophenyl)ethyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[1-(2-fluorophenyl)ethyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide is CC(c1ccccc1F)N(C)C(=O)CCNC(=O)c1ccsc1.
What is the InChIKey of N-[3-[1-(2-fluorophenyl)ethyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is IBODNHHLKQTKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-12(14-5-3-4-6-15(14)18)20(2)16(21)7-9-19-17(22)13-8-10-23-11-13/h3-6,8,10-12H,7,9H2,1-2H3,(H,19,22).
What are the key properties of N-[3-[1-(2-fluorophenyl)ethyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[1-(2-fluorophenyl)ethyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-fluorophenyl)ethyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 46590732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).