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

C17H22Cl2N2OS — CID 119688298

IUPAC3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCCN(Cc1ccc(Cl)s1)C(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C17H21ClN2OS.ClH/c1-3-20(11-14-9-10-15(18)22-14)17(21)12(2)16(19)13-7-5-4-6-8-13;/h4-10,12,16H,3,11,19H2,1-2H3;1H
InChIKeyUFMCVOFVONNEIF-UHFFFAOYSA-N
MW373.35 g/mol
LogP4.51
Rot. Bonds6

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

3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119688298) has the molecular formula C17H22Cl2N2OS and a molecular weight of 373.35 g/mol. Its IUPAC name is 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119688298
Molecular FormulaC17H22Cl2N2OS
Molecular Weight373.35 g/mol
Exact Mass372.08
IUPAC Name3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCCN(Cc1ccc(Cl)s1)C(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C17H21ClN2OS.ClH/c1-3-20(11-14-9-10-15(18)22-14)17(21)12(2)16(19)13-7-5-4-6-8-13;/h4-10,12,16H,3,11,19H2,1-2H3;1H
InChIKeyUFMCVOFVONNEIF-UHFFFAOYSA-N
XLogP4.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylpentanamide
CID 55361168
3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
CID 75468778
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide
CID 60938073
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide
CID 54869465
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenoxypropanamide
CID 42891269
(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide
CID 61163680
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpentanamide;hydrochloride
CID 120559212
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 103809470
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-phenylacetamide
CID 60937692
3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
CID 80552105
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methoxybutanamide
CID 62473043
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylhexanamide
CID 82852185

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-phenylpropanamide;hydrochloride (CID 119688298) is 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-phenylpropanamide;hydrochloride is CCN(Cc1ccc(Cl)s1)C(=O)C(C)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is UFMCVOFVONNEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2OS.ClH/c1-3-20(11-14-9-10-15(18)22-14)17(21)12(2)16(19)13-7-5-4-6-8-13;/h4-10,12,16H,3,11,19H2,1-2H3;1H.
What are the key properties of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 373.35 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119688298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).