2-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]pentanamide

C17H22N2O2S — CID 119342011

IUPAC2-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1ccc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C17H22N2O2S/c1-3-4-15(18)17(20)19-11-14-9-10-16(22-14)12-5-7-13(21-2)8-6-12/h5-10,15H,3-4,11,18H2,1-2H3,(H,19,20)
InChIKeyAMVPKWVPXXAQLS-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.17
Rot. Bonds7

About 2-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]pentanamide

2-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]pentanamide (PubChem CID 119342011) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]pentanamide
PubChem CID119342011
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name2-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1ccc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C17H22N2O2S/c1-3-4-15(18)17(20)19-11-14-9-10-16(22-14)12-5-7-13(21-2)8-6-12/h5-10,15H,3-4,11,18H2,1-2H3,(H,19,20)
InChIKeyAMVPKWVPXXAQLS-UHFFFAOYSA-N
XLogP3.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119342004
(2S)-2-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-3,3-dimethylbutanamide
CID 119815756
(2S)-2-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119815755
(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]pentanamide
CID 106011877
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide
CID 107568769
1-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111967188
2-amino-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide
CID 119305831
cis-(1R,2S)-2-[[5-(4-methoxyphenyl)thiophen-2-yl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 125118624
2-(cyclopropylmethylamino)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]acetamide
CID 119815758
2-butyl-5-(4-methoxyphenyl)thiophene
CID 101473574
3-[[5-(4-methoxyphenyl)thiophen-2-yl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122004907
2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pentanamide;hydrochloride
CID 119302653

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]pentanamide?
The IUPAC name of 2-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]pentanamide (CID 119342011) is 2-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]pentanamide.
What is the SMILES notation for 2-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]pentanamide?
The canonical SMILES for 2-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]pentanamide is CCCC(N)C(=O)NCc1ccc(-c2ccc(OC)cc2)s1.
What is the InChIKey of 2-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]pentanamide?
The InChIKey is AMVPKWVPXXAQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-3-4-15(18)17(20)19-11-14-9-10-16(22-14)12-5-7-13(21-2)8-6-12/h5-10,15H,3-4,11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]pentanamide?
2-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]pentanamide has a molecular weight of 318.44 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]pentanamide is sourced from PubChem (CID 119342011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).