2-anilino-N-[(5-ethylthiophen-2-yl)methyl]acetamide;hydrochloride

C15H19ClN2OS — CID 119727871

IUPAC2-anilino-N-[(5-ethylthiophen-2-yl)methyl]acetamide;hydrochloride
SMILESCCc1ccc(CNC(=O)CNc2ccccc2)s1.Cl
InChIInChI=1S/C15H18N2OS.ClH/c1-2-13-8-9-14(19-13)10-17-15(18)11-16-12-6-4-3-5-7-12;/h3-9,16H,2,10-11H2,1H3,(H,17,18);1H
InChIKeyJWDDZTDRIYKRRV-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.46
Rot. Bonds6

About 2-anilino-N-[(5-ethylthiophen-2-yl)methyl]acetamide;hydrochloride

2-anilino-N-[(5-ethylthiophen-2-yl)methyl]acetamide;hydrochloride (PubChem CID 119727871) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 2-anilino-N-[(5-ethylthiophen-2-yl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-anilino-N-[(5-ethylthiophen-2-yl)methyl]acetamide;hydrochloride
PubChem CID119727871
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name2-anilino-N-[(5-ethylthiophen-2-yl)methyl]acetamide;hydrochloride
SMILESCCc1ccc(CNC(=O)CNc2ccccc2)s1.Cl
InChIInChI=1S/C15H18N2OS.ClH/c1-2-13-8-9-14(19-13)10-17-15(18)11-16-12-6-4-3-5-7-12;/h3-9,16H,2,10-11H2,1H3,(H,17,18);1H
InChIKeyJWDDZTDRIYKRRV-UHFFFAOYSA-N
XLogP3.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-2-[4-(1,2,4-triazol-1-yl)anilino]acetamide
CID 71998010
N-[(5-ethylthiophen-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 103825949
2-anilino-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride
CID 119689818
2-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid
CID 106003719
2-anilino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide
CID 119891864
2-anilino-N-[(2-hydroxyphenyl)methyl]acetamide
CID 114332305
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 103630100
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 119727860
2-anilino-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 60671281
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,2-dimethylpropanamide;hydrochloride
CID 119727869
(3Z)-3-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxyiminopropanamide
CID 106014338
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119727868

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(5-ethylthiophen-2-yl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-anilino-N-[(5-ethylthiophen-2-yl)methyl]acetamide;hydrochloride (CID 119727871) is 2-anilino-N-[(5-ethylthiophen-2-yl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-anilino-N-[(5-ethylthiophen-2-yl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-anilino-N-[(5-ethylthiophen-2-yl)methyl]acetamide;hydrochloride is CCc1ccc(CNC(=O)CNc2ccccc2)s1.Cl.
What is the InChIKey of 2-anilino-N-[(5-ethylthiophen-2-yl)methyl]acetamide;hydrochloride?
The InChIKey is JWDDZTDRIYKRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS.ClH/c1-2-13-8-9-14(19-13)10-17-15(18)11-16-12-6-4-3-5-7-12;/h3-9,16H,2,10-11H2,1H3,(H,17,18);1H.
What are the key properties of 2-anilino-N-[(5-ethylthiophen-2-yl)methyl]acetamide;hydrochloride?
2-anilino-N-[(5-ethylthiophen-2-yl)methyl]acetamide;hydrochloride has a molecular weight of 310.85 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(5-ethylthiophen-2-yl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119727871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).