3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide;hydrochloride

C17H23ClN2OS — CID 119727868

IUPAC3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCCc1ccc(CNC(=O)C(C)C(N)c2ccccc2)s1.Cl
InChIInChI=1S/C17H22N2OS.ClH/c1-3-14-9-10-15(21-14)11-19-17(20)12(2)16(18)13-7-5-4-6-8-13;/h4-10,12,16H,3,11,18H2,1-2H3,(H,19,20);1H
InChIKeyYBNMQCFNOPAXRQ-UHFFFAOYSA-N
MW338.90 g/mol
LogP3.68
Rot. Bonds6

About 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119727868) has the molecular formula C17H23ClN2OS and a molecular weight of 338.90 g/mol. Its IUPAC name is 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119727868
Molecular FormulaC17H23ClN2OS
Molecular Weight338.90 g/mol
Exact Mass338.12
IUPAC Name3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCCc1ccc(CNC(=O)C(C)C(N)c2ccccc2)s1.Cl
InChIInChI=1S/C17H22N2OS.ClH/c1-3-14-9-10-15(21-14)11-19-17(20)12(2)16(18)13-7-5-4-6-8-13;/h4-10,12,16H,3,11,18H2,1-2H3,(H,19,20);1H
InChIKeyYBNMQCFNOPAXRQ-UHFFFAOYSA-N
XLogP3.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.90
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 119727860
(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119291761
3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide
CID 80552252
(2S,3S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentanamide
CID 103832951
3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706690
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 103809470
3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119861809
(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]pentanamide
CID 106011877
3-amino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride
CID 119727678
3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917
3-amino-2-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119808558
3-amino-2-methyl-3-phenyl-N-[(4-propoxyphenyl)methyl]propanamide
CID 119714355

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide;hydrochloride (CID 119727868) is 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide;hydrochloride is CCc1ccc(CNC(=O)C(C)C(N)c2ccccc2)s1.Cl.
What is the InChIKey of 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is YBNMQCFNOPAXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS.ClH/c1-3-14-9-10-15(21-14)11-19-17(20)12(2)16(18)13-7-5-4-6-8-13;/h4-10,12,16H,3,11,18H2,1-2H3,(H,19,20);1H.
What are the key properties of 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 338.90 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119727868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).