N-(3-cyanothiophen-2-yl)-3-[[1-(4-fluorophenyl)-2-methylpropyl]amino]propanamide

C18H20FN3OS — CID 18089068

IUPACN-(3-cyanothiophen-2-yl)-3-[[1-(4-fluorophenyl)-2-methylpropyl]amino]propanamide
SMILESCC(C)C(NCCC(=O)Nc1sccc1C#N)c1ccc(F)cc1
InChIInChI=1S/C18H20FN3OS/c1-12(2)17(13-3-5-15(19)6-4-13)21-9-7-16(23)22-18-14(11-20)8-10-24-18/h3-6,8,10,12,17,21H,7,9H2,1-2H3,(H,22,23)
InChIKeyLPBSSONUCRJFJA-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.07
Rot. Bonds7

About N-(3-cyanothiophen-2-yl)-3-[[1-(4-fluorophenyl)-2-methylpropyl]amino]propanamide

N-(3-cyanothiophen-2-yl)-3-[[1-(4-fluorophenyl)-2-methylpropyl]amino]propanamide (PubChem CID 18089068) has the molecular formula C18H20FN3OS and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3-[[1-(4-fluorophenyl)-2-methylpropyl]amino]propanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3-[[1-(4-fluorophenyl)-2-methylpropyl]amino]propanamide
PubChem CID18089068
Molecular FormulaC18H20FN3OS
Molecular Weight345.44 g/mol
Exact Mass345.13
IUPAC NameN-(3-cyanothiophen-2-yl)-3-[[1-(4-fluorophenyl)-2-methylpropyl]amino]propanamide
SMILESCC(C)C(NCCC(=O)Nc1sccc1C#N)c1ccc(F)cc1
InChIInChI=1S/C18H20FN3OS/c1-12(2)17(13-3-5-15(19)6-4-13)21-9-7-16(23)22-18-14(11-20)8-10-24-18/h3-6,8,10,12,17,21H,7,9H2,1-2H3,(H,22,23)
InChIKeyLPBSSONUCRJFJA-UHFFFAOYSA-N
XLogP4.07
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanothiophen-2-yl)-3-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanamide
CID 9392522
N-(3-cyanothiophen-2-yl)-3-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]propanamide
CID 51965760
N-(3-cyanothiophen-2-yl)-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide
CID 95313521
2-[[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]amino]thiophene-3-carboxamide
CID 9133741
N-(3-cyanothiophen-2-yl)-4-(4-fluorophenyl)sulfonylbutanamide
CID 18586001
N-(2-cyanophenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133316
N-(3-cyanothiophen-2-yl)-2-(4-fluorophenoxy)acetamide
CID 9415681
2-[butan-2-yl-[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]amino]acetic acid
CID 60834541
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468420
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9377129
N-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]propanamide
CID 18088734
methyl 4-[[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]-methylamino]butanoate
CID 62013277

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3-[[1-(4-fluorophenyl)-2-methylpropyl]amino]propanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3-[[1-(4-fluorophenyl)-2-methylpropyl]amino]propanamide (CID 18089068) is N-(3-cyanothiophen-2-yl)-3-[[1-(4-fluorophenyl)-2-methylpropyl]amino]propanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3-[[1-(4-fluorophenyl)-2-methylpropyl]amino]propanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3-[[1-(4-fluorophenyl)-2-methylpropyl]amino]propanamide is CC(C)C(NCCC(=O)Nc1sccc1C#N)c1ccc(F)cc1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3-[[1-(4-fluorophenyl)-2-methylpropyl]amino]propanamide?
The InChIKey is LPBSSONUCRJFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3OS/c1-12(2)17(13-3-5-15(19)6-4-13)21-9-7-16(23)22-18-14(11-20)8-10-24-18/h3-6,8,10,12,17,21H,7,9H2,1-2H3,(H,22,23).
What are the key properties of N-(3-cyanothiophen-2-yl)-3-[[1-(4-fluorophenyl)-2-methylpropyl]amino]propanamide?
N-(3-cyanothiophen-2-yl)-3-[[1-(4-fluorophenyl)-2-methylpropyl]amino]propanamide has a molecular weight of 345.44 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-3-[[1-(4-fluorophenyl)-2-methylpropyl]amino]propanamide is sourced from PubChem (CID 18089068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).