N-[cyano-(2-fluorophenyl)methyl]-4-ethyl-5-propylthiophene-2-carboxamide

C18H19FN2OS — CID 56515395

IUPACN-[cyano-(2-fluorophenyl)methyl]-4-ethyl-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NC(C#N)c2ccccc2F)cc1CC
InChIInChI=1S/C18H19FN2OS/c1-3-7-16-12(4-2)10-17(23-16)18(22)21-15(11-20)13-8-5-6-9-14(13)19/h5-6,8-10,15H,3-4,7H2,1-2H3,(H,21,22)
InChIKeyZBOQEWCNDZQEJU-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.40
Rot. Bonds6

About N-[cyano-(2-fluorophenyl)methyl]-4-ethyl-5-propylthiophene-2-carboxamide

N-[cyano-(2-fluorophenyl)methyl]-4-ethyl-5-propylthiophene-2-carboxamide (PubChem CID 56515395) has the molecular formula C18H19FN2OS and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[cyano-(2-fluorophenyl)methyl]-4-ethyl-5-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[cyano-(2-fluorophenyl)methyl]-4-ethyl-5-propylthiophene-2-carboxamide
PubChem CID56515395
Molecular FormulaC18H19FN2OS
Molecular Weight330.43 g/mol
Exact Mass330.12
IUPAC NameN-[cyano-(2-fluorophenyl)methyl]-4-ethyl-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NC(C#N)c2ccccc2F)cc1CC
InChIInChI=1S/C18H19FN2OS/c1-3-7-16-12(4-2)10-17(23-16)18(22)21-15(11-20)13-8-5-6-9-14(13)19/h5-6,8-10,15H,3-4,7H2,1-2H3,(H,21,22)
InChIKeyZBOQEWCNDZQEJU-UHFFFAOYSA-N
XLogP4.40
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methylbutanamide
CID 95617372
N-[cyano-(2-fluorophenyl)methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 56515138
N-[cyano-(2-fluorophenyl)methyl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 56571993
2-bromo-N-[(S)-cyano-(2-fluorophenyl)methyl]benzamide
CID 96533894
4-ethyl-N-(2-methylphenyl)-5-propylthiophene-2-carboxamide
CID 26914221
N-[cyano-(2-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 56784288
4-ethyl-N-[2-(methylamino)ethyl]-5-propylthiophene-2-carboxamide
CID 119501880
3-bromo-N-[cyano-(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 56572153
N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 97228566
N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(dimethylcarbamoylamino)benzamide
CID 95774319
4-ethyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 55333294
2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]acetic acid
CID 43354383

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-4-ethyl-5-propylthiophene-2-carboxamide?
The IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-4-ethyl-5-propylthiophene-2-carboxamide (CID 56515395) is N-[cyano-(2-fluorophenyl)methyl]-4-ethyl-5-propylthiophene-2-carboxamide.
What is the SMILES notation for N-[cyano-(2-fluorophenyl)methyl]-4-ethyl-5-propylthiophene-2-carboxamide?
The canonical SMILES for N-[cyano-(2-fluorophenyl)methyl]-4-ethyl-5-propylthiophene-2-carboxamide is CCCc1sc(C(=O)NC(C#N)c2ccccc2F)cc1CC.
What is the InChIKey of N-[cyano-(2-fluorophenyl)methyl]-4-ethyl-5-propylthiophene-2-carboxamide?
The InChIKey is ZBOQEWCNDZQEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2OS/c1-3-7-16-12(4-2)10-17(23-16)18(22)21-15(11-20)13-8-5-6-9-14(13)19/h5-6,8-10,15H,3-4,7H2,1-2H3,(H,21,22).
What are the key properties of N-[cyano-(2-fluorophenyl)methyl]-4-ethyl-5-propylthiophene-2-carboxamide?
N-[cyano-(2-fluorophenyl)methyl]-4-ethyl-5-propylthiophene-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2-fluorophenyl)methyl]-4-ethyl-5-propylthiophene-2-carboxamide is sourced from PubChem (CID 56515395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).