N-(2-aminoethyl)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]benzamide;hydrochloride

C16H19Cl2N3O2S — CID 120603678

IUPACN-(2-aminoethyl)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]benzamide;hydrochloride
SMILESCl.NCCNC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)s1
InChIInChI=1S/C16H18ClN3O2S.ClH/c17-14-7-5-11(23-14)6-8-15(21)20-13-4-2-1-3-12(13)16(22)19-10-9-18;/h1-5,7H,6,8-10,18H2,(H,19,22)(H,20,21);1H
InChIKeyIAHAMSOTZGZURC-UHFFFAOYSA-N
MW388.32 g/mol
LogP3.08
Rot. Bonds7

About N-(2-aminoethyl)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]benzamide;hydrochloride

N-(2-aminoethyl)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]benzamide;hydrochloride (PubChem CID 120603678) has the molecular formula C16H19Cl2N3O2S and a molecular weight of 388.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]benzamide;hydrochloride
PubChem CID120603678
Molecular FormulaC16H19Cl2N3O2S
Molecular Weight388.32 g/mol
Exact Mass387.06
IUPAC NameN-(2-aminoethyl)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]benzamide;hydrochloride
SMILESCl.NCCNC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)s1
InChIInChI=1S/C16H18ClN3O2S.ClH/c17-14-7-5-11(23-14)6-8-15(21)20-13-4-2-1-3-12(13)16(22)19-10-9-18;/h1-5,7H,6,8-10,18H2,(H,19,22)(H,20,21);1H
InChIKeyIAHAMSOTZGZURC-UHFFFAOYSA-N
XLogP3.08
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-aminoethylcarbamoyl)phenyl]-5-chlorothiophene-2-carboxamide
CID 107000040
N-(2-aminoethyl)-2-[[2-(5-methylthiophen-2-yl)acetyl]amino]benzamide;hydrochloride
CID 120604324
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide
CID 106049286
N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide
CID 120604437
N-(2-aminoethyl)-2-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]benzamide;hydrochloride
CID 120604396
N-(2-aminoethyl)-2-[3-(2,4-dimethylphenyl)propanoylamino]benzamide;hydrochloride
CID 120604204
N-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide
CID 120604009
N-(2-aminoethyl)-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]benzamide;hydrochloride
CID 120604454
N-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]benzamide
CID 120603849
N-[2-(2-aminoethylcarbamoyl)phenyl]-N',N'-dimethylpentanediamide
CID 120603511
N-(2-aminoethyl)-2-(but-3-enoylamino)benzamide
CID 106999671
N-[2-(2-aminoethylcarbamoyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106999665

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]benzamide;hydrochloride (CID 120603678) is N-(2-aminoethyl)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]benzamide;hydrochloride is Cl.NCCNC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)s1.
What is the InChIKey of N-(2-aminoethyl)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]benzamide;hydrochloride?
The InChIKey is IAHAMSOTZGZURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S.ClH/c17-14-7-5-11(23-14)6-8-15(21)20-13-4-2-1-3-12(13)16(22)19-10-9-18;/h1-5,7H,6,8-10,18H2,(H,19,22)(H,20,21);1H.
What are the key properties of N-(2-aminoethyl)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]benzamide;hydrochloride?
N-(2-aminoethyl)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]benzamide;hydrochloride has a molecular weight of 388.32 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]benzamide;hydrochloride is sourced from PubChem (CID 120603678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).