N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(methylamino)butanamide

C16H19FN2OS — CID 61258454

IUPACN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C16H19FN2OS/c1-18-10-2-5-15(20)19-16(14-4-3-11-21-14)12-6-8-13(17)9-7-12/h3-4,6-9,11,16,18H,2,5,10H2,1H3,(H,19,20)
InChIKeyFEBQAVUYDLSAFX-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.09
Rot. Bonds7

About N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(methylamino)butanamide

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(methylamino)butanamide (PubChem CID 61258454) has the molecular formula C16H19FN2OS and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(methylamino)butanamide
PubChem CID61258454
Molecular FormulaC16H19FN2OS
Molecular Weight306.41 g/mol
Exact Mass306.12
IUPAC NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C16H19FN2OS/c1-18-10-2-5-15(20)19-16(14-4-3-11-21-14)12-6-8-13(17)9-7-12/h3-4,6-9,11,16,18H,2,5,10H2,1H3,(H,19,20)
InChIKeyFEBQAVUYDLSAFX-UHFFFAOYSA-N
XLogP3.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide
CID 60842051
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 18279784
N-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 40820713
methyl 3-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]sulfanylpropanoate
CID 9344493
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide
CID 25398079
[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 3-methylbut-2-enoate
CID 9290917
[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 4-oxopentanoate
CID 9199170
N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 17403858
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide
CID 41038604
4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide
CID 119296390
ethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate
CID 60664930

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(methylamino)butanamide?
The IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(methylamino)butanamide (CID 61258454) is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(methylamino)butanamide is CNCCCC(=O)NC(c1ccc(F)cc1)c1cccs1.
What is the InChIKey of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(methylamino)butanamide?
The InChIKey is FEBQAVUYDLSAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2OS/c1-18-10-2-5-15(20)19-16(14-4-3-11-21-14)12-6-8-13(17)9-7-12/h3-4,6-9,11,16,18H,2,5,10H2,1H3,(H,19,20).
What are the key properties of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(methylamino)butanamide?
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(methylamino)butanamide has a molecular weight of 306.41 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(methylamino)butanamide is sourced from PubChem (CID 61258454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).