3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]butanamide;hydrochloride

C16H21ClN2O2S — CID 119818238

IUPAC3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]butanamide;hydrochloride
SMILESCOc1ccc(-c2csc(CNC(=O)CC(C)N)c2)cc1.Cl
InChIInChI=1S/C16H20N2O2S.ClH/c1-11(17)7-16(19)18-9-15-8-13(10-21-15)12-3-5-14(20-2)6-4-12;/h3-6,8,10-11H,7,9,17H2,1-2H3,(H,18,19);1H
InChIKeyPDQXQXJFDGJQQL-UHFFFAOYSA-N
MW340.88 g/mol
LogP3.20
Rot. Bonds6

About 3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]butanamide;hydrochloride

3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]butanamide;hydrochloride (PubChem CID 119818238) has the molecular formula C16H21ClN2O2S and a molecular weight of 340.88 g/mol. Its IUPAC name is 3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]butanamide;hydrochloride
PubChem CID119818238
Molecular FormulaC16H21ClN2O2S
Molecular Weight340.88 g/mol
Exact Mass340.10
IUPAC Name3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]butanamide;hydrochloride
SMILESCOc1ccc(-c2csc(CNC(=O)CC(C)N)c2)cc1.Cl
InChIInChI=1S/C16H20N2O2S.ClH/c1-11(17)7-16(19)18-9-15-8-13(10-21-15)12-3-5-14(20-2)6-4-12;/h3-6,8,10-11H,7,9,17H2,1-2H3,(H,18,19);1H
InChIKeyPDQXQXJFDGJQQL-UHFFFAOYSA-N
XLogP3.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]propanamide
CID 119343360
3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119802030
3-amino-N-[(3-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119678228
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]urea
CID 111619363
trans-(1S,2R)-1-[[4-(4-methoxyphenyl)thiophen-2-yl]methylcarbamoyl]-2-methylcyclopropane-1-carboxylic acid
CID 167801951
N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]piperidine-2-carboxamide
CID 119343356
3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363998
(1R,2S,4R)-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129378297
N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 71982590
3-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]butanamide;dihydrochloride
CID 119900150
(2R)-2-(hydroxymethyl)-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]pyrrolidine-1-carboxamide
CID 111619348
3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]butanamide;hydrochloride
CID 119787457

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]butanamide;hydrochloride (CID 119818238) is 3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]butanamide;hydrochloride is COc1ccc(-c2csc(CNC(=O)CC(C)N)c2)cc1.Cl.
What is the InChIKey of 3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]butanamide;hydrochloride?
The InChIKey is PDQXQXJFDGJQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S.ClH/c1-11(17)7-16(19)18-9-15-8-13(10-21-15)12-3-5-14(20-2)6-4-12;/h3-6,8,10-11H,7,9,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]butanamide;hydrochloride?
3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]butanamide;hydrochloride has a molecular weight of 340.88 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 119818238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).