N-(1-amino-2-methylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride

C14H23ClN2O2S — CID 119522912

IUPACN-(1-amino-2-methylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride
SMILESCc1cc(C(=O)CCC(=O)NC(C)(C)CN)c(C)s1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-9-7-11(10(2)19-9)12(17)5-6-13(18)16-14(3,4)8-15;/h7H,5-6,8,15H2,1-4H3,(H,16,18);1H
InChIKeyHDNFJRBOCJZOJL-UHFFFAOYSA-N
MW318.87 g/mol
LogP2.60
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride (PubChem CID 119522912) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride
PubChem CID119522912
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride
SMILESCc1cc(C(=O)CCC(=O)NC(C)(C)CN)c(C)s1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-9-7-11(10(2)19-9)12(17)5-6-13(18)16-14(3,4)8-15;/h7H,5-6,8,15H2,1-4H3,(H,16,18);1H
InChIKeyHDNFJRBOCJZOJL-UHFFFAOYSA-N
XLogP2.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride
CID 119383494
N-(1-amino-2-methylpropan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride
CID 119524438
N-cycloheptyl-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 7478580
4-(2,5-dimethylthiophen-3-yl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119431451
N-(1-amino-4-methylpentan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 119586839
[2-(cyclopentylamino)-2-oxoethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate
CID 7400150
4-(2,5-dimethylthiophen-3-yl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9416232
4-(2,5-dimethylthiophen-3-yl)-N-(2-hydroxyphenyl)-4-oxobutanamide
CID 24535621
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-pyridin-4-ylbutanamide
CID 27700487
N-(2-aminoethyl)-2-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]benzamide;hydrochloride
CID 120604396
4-(2,5-dimethylthiophen-3-yl)-N-[(2S)-5-hydroxypentan-2-yl]-4-oxobutanamide
CID 96539780
4-(2,5-dimethylthiophen-3-yl)-N-[4-(methylcarbamoylamino)phenyl]-4-oxobutanamide
CID 46518580

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride (CID 119522912) is N-(1-amino-2-methylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride is Cc1cc(C(=O)CCC(=O)NC(C)(C)CN)c(C)s1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride?
The InChIKey is HDNFJRBOCJZOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S.ClH/c1-9-7-11(10(2)19-9)12(17)5-6-13(18)16-14(3,4)8-15;/h7H,5-6,8,15H2,1-4H3,(H,16,18);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride has a molecular weight of 318.87 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 119522912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).