N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide

C17H19FN2OS — CID 119617905

IUPACN-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NC(CN)C2CC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C17H19FN2OS/c1-10-14(11-4-6-13(18)7-5-11)8-16(22-10)17(21)20-15(9-19)12-2-3-12/h4-8,12,15H,2-3,9,19H2,1H3,(H,20,21)
InChIKeyIBUUZSWXQFXBOD-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.33
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide

N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide (PubChem CID 119617905) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide
PubChem CID119617905
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NC(CN)C2CC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C17H19FN2OS/c1-10-14(11-4-6-13(18)7-5-11)8-16(22-10)17(21)20-15(9-19)12-2-3-12/h4-8,12,15H,2-3,9,19H2,1H3,(H,20,21)
InChIKeyIBUUZSWXQFXBOD-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;hydrochloride
CID 119616534
2-[[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547552
N-[1-(aminomethyl)cyclopentyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide;hydrochloride
CID 119568561
N-(2-amino-1-cyclopropylethyl)-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride
CID 119615656
4-(4-fluorophenyl)-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119454424
N-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide
CID 65188786
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone
CID 124696499
N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide
CID 82883177
N-(2-amino-1-cyclopentylethyl)-4-fluoro-2-methylbenzamide
CID 106737696
N-(2-amino-1-cyclopropylethyl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 119613670
N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride
CID 119614951
4-(4-fluorophenyl)-5-methyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 97050989

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide (CID 119617905) is N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide is Cc1sc(C(=O)NC(CN)C2CC2)cc1-c1ccc(F)cc1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is IBUUZSWXQFXBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2OS/c1-10-14(11-4-6-13(18)7-5-11)8-16(22-10)17(21)20-15(9-19)12-2-3-12/h4-8,12,15H,2-3,9,19H2,1H3,(H,20,21).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide?
N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 119617905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).