N-(2-aminoethyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride

C12H19ClN2O2S — CID 119383494

IUPACN-(2-aminoethyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride
SMILESCc1cc(C(=O)CCC(=O)NCCN)c(C)s1.Cl
InChIInChI=1S/C12H18N2O2S.ClH/c1-8-7-10(9(2)17-8)11(15)3-4-12(16)14-6-5-13;/h7H,3-6,13H2,1-2H3,(H,14,16);1H
InChIKeyKQWSBIHZBVZFEP-UHFFFAOYSA-N
MW290.82 g/mol
LogP1.82
Rot. Bonds6

About N-(2-aminoethyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride

N-(2-aminoethyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride (PubChem CID 119383494) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride
PubChem CID119383494
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC NameN-(2-aminoethyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride
SMILESCc1cc(C(=O)CCC(=O)NCCN)c(C)s1.Cl
InChIInChI=1S/C12H18N2O2S.ClH/c1-8-7-10(9(2)17-8)11(15)3-4-12(16)14-6-5-13;/h7H,3-6,13H2,1-2H3,(H,14,16);1H
InChIKeyKQWSBIHZBVZFEP-UHFFFAOYSA-N
XLogP1.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dimethylthiophen-3-yl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119431451
N-(2-aminoethyl)-2-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]benzamide;hydrochloride
CID 120604396
N-(1-amino-2-methylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride
CID 119522912
N-(1-amino-4-methylpentan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 119586839
N-[2-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55545907
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 4786393
4-(2,5-dimethylthiophen-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 43009505
4-(2,5-dimethylthiophen-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]-4-oxobutanamide
CID 87041467
N-(2-aminoethyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108796690
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-phenylphenyl)butanamide
CID 7969004
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(2-quinolin-8-ylethyl)butanamide
CID 18149370
4-(2,5-dimethylthiophen-3-yl)-N-(2-hydroxyphenyl)-4-oxobutanamide
CID 24535621

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride (CID 119383494) is N-(2-aminoethyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride is Cc1cc(C(=O)CCC(=O)NCCN)c(C)s1.Cl.
What is the InChIKey of N-(2-aminoethyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride?
The InChIKey is KQWSBIHZBVZFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S.ClH/c1-8-7-10(9(2)17-8)11(15)3-4-12(16)14-6-5-13;/h7H,3-6,13H2,1-2H3,(H,14,16);1H.
What are the key properties of N-(2-aminoethyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride?
N-(2-aminoethyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride has a molecular weight of 290.82 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 119383494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).