N,5-diethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylthiophene-2-carboxamide

C19H23FN2O2S — CID 18079934

IUPACN,5-diethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)N(CC)CC(=O)NCc2ccc(F)cc2)cc1C
InChIInChI=1S/C19H23FN2O2S/c1-4-16-13(3)10-17(25-16)19(24)22(5-2)12-18(23)21-11-14-6-8-15(20)9-7-14/h6-10H,4-5,11-12H2,1-3H3,(H,21,23)
InChIKeyGVUMGKYBZLWPAV-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.54
Rot. Bonds7

About N,5-diethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylthiophene-2-carboxamide

N,5-diethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylthiophene-2-carboxamide (PubChem CID 18079934) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is N,5-diethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN,5-diethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylthiophene-2-carboxamide
PubChem CID18079934
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC NameN,5-diethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)N(CC)CC(=O)NCc2ccc(F)cc2)cc1C
InChIInChI=1S/C19H23FN2O2S/c1-4-16-13(3)10-17(25-16)19(24)22(5-2)12-18(23)21-11-14-6-8-15(20)9-7-14/h6-10H,4-5,11-12H2,1-3H3,(H,21,23)
InChIKeyGVUMGKYBZLWPAV-UHFFFAOYSA-N
XLogP3.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 8960641
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 18113075
5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 27821732
2-(4-aminophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 119680664
1-(3,5-dimethylphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclopropane-1-carboxamide
CID 55874805
3-(dimethylsulfamoyl)-N-ethyl-4-fluoro-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 55792417
(2S)-2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide;hydrochloride
CID 119266584
3-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 119726485
2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 27821749
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119291035
1-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxamide
CID 119291047
1,1-diethyl-3-[(4-fluorophenyl)methyl]urea
CID 3851579

Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of N,5-diethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylthiophene-2-carboxamide (CID 18079934) is N,5-diethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N,5-diethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for N,5-diethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)N(CC)CC(=O)NCc2ccc(F)cc2)cc1C.
What is the InChIKey of N,5-diethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylthiophene-2-carboxamide?
The InChIKey is GVUMGKYBZLWPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c1-4-16-13(3)10-17(25-16)19(24)22(5-2)12-18(23)21-11-14-6-8-15(20)9-7-14/h6-10H,4-5,11-12H2,1-3H3,(H,21,23).
What are the key properties of N,5-diethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylthiophene-2-carboxamide?
N,5-diethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylthiophene-2-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 18079934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).