N-(2-aminoethyl)-2-[[2-(5-methylthiophen-2-yl)acetyl]amino]benzamide;hydrochloride

C16H20ClN3O2S — CID 120604324

IUPACN-(2-aminoethyl)-2-[[2-(5-methylthiophen-2-yl)acetyl]amino]benzamide;hydrochloride
SMILESCc1ccc(CC(=O)Nc2ccccc2C(=O)NCCN)s1.Cl
InChIInChI=1S/C16H19N3O2S.ClH/c1-11-6-7-12(22-11)10-15(20)19-14-5-3-2-4-13(14)16(21)18-9-8-17;/h2-7H,8-10,17H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyAAMSOPHJPNKSSE-UHFFFAOYSA-N
MW353.88 g/mol
LogP2.35
Rot. Bonds6

About N-(2-aminoethyl)-2-[[2-(5-methylthiophen-2-yl)acetyl]amino]benzamide;hydrochloride

N-(2-aminoethyl)-2-[[2-(5-methylthiophen-2-yl)acetyl]amino]benzamide;hydrochloride (PubChem CID 120604324) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[[2-(5-methylthiophen-2-yl)acetyl]amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[[2-(5-methylthiophen-2-yl)acetyl]amino]benzamide;hydrochloride
PubChem CID120604324
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC NameN-(2-aminoethyl)-2-[[2-(5-methylthiophen-2-yl)acetyl]amino]benzamide;hydrochloride
SMILESCc1ccc(CC(=O)Nc2ccccc2C(=O)NCCN)s1.Cl
InChIInChI=1S/C16H19N3O2S.ClH/c1-11-6-7-12(22-11)10-15(20)19-14-5-3-2-4-13(14)16(21)18-9-8-17;/h2-7H,8-10,17H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyAAMSOPHJPNKSSE-UHFFFAOYSA-N
XLogP2.35
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]benzamide;hydrochloride
CID 120604396
N-(2-aminoethyl)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]benzamide;hydrochloride
CID 120603678
N-(2-aminoethyl)-2-[[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]benzamide;hydrochloride
CID 120604073
N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide
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N-(2-aminoethyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzamide;hydrochloride
CID 120604529
N-(2-aminoethyl)-2-[(2-tert-butylsulfanylacetyl)amino]benzamide;hydrochloride
CID 120604222
N-(2-aminoethyl)-2-[3-(2,4-dimethylphenyl)propanoylamino]benzamide;hydrochloride
CID 120604204
N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide
CID 120604437
N-[2-(ethylaminomethyl)phenyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride
CID 119439132
N-(2-aminoethyl)-2-[[2-[methyl(propan-2-yl)amino]acetyl]amino]benzamide;dihydrochloride
CID 120603824
N-(2-aminoethyl)-2-(but-3-enoylamino)benzamide
CID 106999671
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
CID 107000060

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[[2-(5-methylthiophen-2-yl)acetyl]amino]benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-[[2-(5-methylthiophen-2-yl)acetyl]amino]benzamide;hydrochloride (CID 120604324) is N-(2-aminoethyl)-2-[[2-(5-methylthiophen-2-yl)acetyl]amino]benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-[[2-(5-methylthiophen-2-yl)acetyl]amino]benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-[[2-(5-methylthiophen-2-yl)acetyl]amino]benzamide;hydrochloride is Cc1ccc(CC(=O)Nc2ccccc2C(=O)NCCN)s1.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-[[2-(5-methylthiophen-2-yl)acetyl]amino]benzamide;hydrochloride?
The InChIKey is AAMSOPHJPNKSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S.ClH/c1-11-6-7-12(22-11)10-15(20)19-14-5-3-2-4-13(14)16(21)18-9-8-17;/h2-7H,8-10,17H2,1H3,(H,18,21)(H,19,20);1H.
What are the key properties of N-(2-aminoethyl)-2-[[2-(5-methylthiophen-2-yl)acetyl]amino]benzamide;hydrochloride?
N-(2-aminoethyl)-2-[[2-(5-methylthiophen-2-yl)acetyl]amino]benzamide;hydrochloride has a molecular weight of 353.88 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[[2-(5-methylthiophen-2-yl)acetyl]amino]benzamide;hydrochloride is sourced from PubChem (CID 120604324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).