4-amino-N-(2-phenyl-1-thiophen-2-ylethyl)pentanamide

C17H22N2OS — CID 120563010

IUPAC4-amino-N-(2-phenyl-1-thiophen-2-ylethyl)pentanamide
SMILESCC(N)CCC(=O)NC(Cc1ccccc1)c1cccs1
InChIInChI=1S/C17H22N2OS/c1-13(18)9-10-17(20)19-15(16-8-5-11-21-16)12-14-6-3-2-4-7-14/h2-8,11,13,15H,9-10,12,18H2,1H3,(H,19,20)
InChIKeyZYALSKLOOPFLNG-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.28
Rot. Bonds7

About 4-amino-N-(2-phenyl-1-thiophen-2-ylethyl)pentanamide

4-amino-N-(2-phenyl-1-thiophen-2-ylethyl)pentanamide (PubChem CID 120563010) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 4-amino-N-(2-phenyl-1-thiophen-2-ylethyl)pentanamide.

Molecular Properties

Compound Name4-amino-N-(2-phenyl-1-thiophen-2-ylethyl)pentanamide
PubChem CID120563010
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name4-amino-N-(2-phenyl-1-thiophen-2-ylethyl)pentanamide
SMILESCC(N)CCC(=O)NC(Cc1ccccc1)c1cccs1
InChIInChI=1S/C17H22N2OS/c1-13(18)9-10-17(20)19-15(16-8-5-11-21-16)12-14-6-3-2-4-7-14/h2-8,11,13,15H,9-10,12,18H2,1H3,(H,19,20)
InChIKeyZYALSKLOOPFLNG-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-phenyl-N-(1-thiophen-2-ylbutyl)propanamide
CID 78984626
2-methyl-3-[methyl-[(2-phenyl-1-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid
CID 122002618
4-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-5-phenylpentanoic acid
CID 120547255
5-amino-N-(2-methyl-1-thiophen-2-ylpropyl)hexanamide
CID 82848158
4-amino-1-thiophen-2-ylpentan-1-one
CID 116571816
methyl (3S)-3-(3-phenylpropanoylamino)-3-thiophen-2-ylpropanoate
CID 94062744
methyl (3R)-3-(3-phenylpropanoylamino)-3-thiophen-2-ylpropanoate
CID 94062745
3-(butanoylamino)-3-thiophen-2-ylpropanoic acid
CID 60750131
5-amino-N-(1-hydroxy-3-phenylpropan-2-yl)hexanamide
CID 82851763
5-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexanamide
CID 107860949
N-ethyl-2-phenyl-1-thiophen-2-ylethanamine;hydrochloride
CID 3061989
N-(2-phenyl-1-thiophen-2-ylethyl)ethanesulfonamide
CID 56791791

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-phenyl-1-thiophen-2-ylethyl)pentanamide?
The IUPAC name of 4-amino-N-(2-phenyl-1-thiophen-2-ylethyl)pentanamide (CID 120563010) is 4-amino-N-(2-phenyl-1-thiophen-2-ylethyl)pentanamide.
What is the SMILES notation for 4-amino-N-(2-phenyl-1-thiophen-2-ylethyl)pentanamide?
The canonical SMILES for 4-amino-N-(2-phenyl-1-thiophen-2-ylethyl)pentanamide is CC(N)CCC(=O)NC(Cc1ccccc1)c1cccs1.
What is the InChIKey of 4-amino-N-(2-phenyl-1-thiophen-2-ylethyl)pentanamide?
The InChIKey is ZYALSKLOOPFLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-13(18)9-10-17(20)19-15(16-8-5-11-21-16)12-14-6-3-2-4-7-14/h2-8,11,13,15H,9-10,12,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-N-(2-phenyl-1-thiophen-2-ylethyl)pentanamide?
4-amino-N-(2-phenyl-1-thiophen-2-ylethyl)pentanamide has a molecular weight of 302.44 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-phenyl-1-thiophen-2-ylethyl)pentanamide is sourced from PubChem (CID 120563010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).