N-(2-aminoethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)benzamide;hydrochloride

C20H26ClN3O3S — CID 120886797

IUPACN-(2-aminoethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)benzamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C20H25N3O3S.ClH/c21-12-15-22(14-11-17-5-2-1-3-6-17)20(24)18-7-9-19(10-8-18)23-13-4-16-27(23,25)26;/h1-3,5-10H,4,11-16,21H2;1H
InChIKeyIKHCTJBWZJPYJH-UHFFFAOYSA-N
MW423.97 g/mol
LogP2.29
Rot. Bonds7

About N-(2-aminoethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)benzamide;hydrochloride

N-(2-aminoethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)benzamide;hydrochloride (PubChem CID 120886797) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)benzamide;hydrochloride
PubChem CID120886797
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC NameN-(2-aminoethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)benzamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C20H25N3O3S.ClH/c21-12-15-22(14-11-17-5-2-1-3-6-17)20(24)18-7-9-19(10-8-18)23-13-4-16-27(23,25)26;/h1-3,5-10H,4,11-16,21H2;1H
InChIKeyIKHCTJBWZJPYJH-UHFFFAOYSA-N
XLogP2.29
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-(2-phenylethyl)-4-piperidin-1-ylbenzamide
CID 120884964
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
N-(2-aminoethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)propanamide
CID 120885058
4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506
N-(2-aminoethyl)-6-(azepan-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120884645
N-(2-aminoethyl)-3-fluoro-N-(2-phenylethyl)-4-pyrrolidin-1-ylbenzamide
CID 120886194
N-(2-aminoethyl)-4-ethoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885321
N-benzyl-N-[2-(dimethylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 134012235
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenylpropanamide
CID 7627477
2-[4-(1,1-dioxothiazinan-2-yl)phenyl]ethanamine
CID 82513963
N-(2-aminoethyl)-3-[(4-methylpiperazin-1-yl)methyl]-N-(2-phenylethyl)benzamide;dihydrochloride
CID 120884829
N-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884759

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)benzamide;hydrochloride (CID 120886797) is N-(2-aminoethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)benzamide;hydrochloride is Cl.NCCN(CCc1ccccc1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)benzamide;hydrochloride?
The InChIKey is IKHCTJBWZJPYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S.ClH/c21-12-15-22(14-11-17-5-2-1-3-6-17)20(24)18-7-9-19(10-8-18)23-13-4-16-27(23,25)26;/h1-3,5-10H,4,11-16,21H2;1H.
What are the key properties of N-(2-aminoethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)benzamide;hydrochloride?
N-(2-aminoethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)benzamide;hydrochloride has a molecular weight of 423.97 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)benzamide;hydrochloride is sourced from PubChem (CID 120886797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).