N-[2-(4-aminophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C18H21N3O3S — CID 119549268

IUPACN-[2-(4-aminophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESNc1ccc(CCNC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1
InChIInChI=1S/C18H21N3O3S/c19-16-7-5-14(6-8-16)9-10-20-18(22)15-3-1-4-17(13-15)21-11-2-12-25(21,23)24/h1,3-8,13H,2,9-12,19H2,(H,20,22)
InChIKeyGGDBORIJUKYZIV-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.78
Rot. Bonds5

About N-[2-(4-aminophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

N-[2-(4-aminophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 119549268) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID119549268
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[2-(4-aminophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESNc1ccc(CCNC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1
InChIInChI=1S/C18H21N3O3S/c19-16-7-5-14(6-8-16)9-10-20-18(22)15-3-1-4-17(13-15)21-11-2-12-25(21,23)24/h1,3-8,13H,2,9-12,19H2,(H,20,22)
InChIKeyGGDBORIJUKYZIV-UHFFFAOYSA-N
XLogP1.78
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
CID 119408150
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(methylamino)propyl]benzamide
CID 119433279
N-[2-(4-aminophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 119548405
2-[2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethylsulfanyl]acetic acid
CID 119241903
N-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
CID 119620981
3-(1,1-dioxothiazinan-2-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 7685970
3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 7686029
N-[2-(benzylamino)-2-oxoethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55676305
methyl 4-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]benzoate
CID 55514544
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537198
3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 7659003
N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 45494621

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 119549268) is N-[2-(4-aminophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is Nc1ccc(CCNC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is GGDBORIJUKYZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c19-16-7-5-14(6-8-16)9-10-20-18(22)15-3-1-4-17(13-15)21-11-2-12-25(21,23)24/h1,3-8,13H,2,9-12,19H2,(H,20,22).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-[2-(4-aminophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 359.45 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 119549268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).