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

C25H25N3O4S — CID 55693559

IUPACN-[1-(3-benzamidophenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCC(NC(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C25H25N3O4S/c1-18(21-9-5-10-22(17-21)27-25(30)19-7-3-2-4-8-19)26-24(29)20-11-13-23(14-12-20)28-15-6-16-33(28,31)32/h2-5,7-14,17-18H,6,15-16H2,1H3,(H,26,29)(H,27,30)
InChIKeyPFPJSTBXEKWVJF-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.97
Rot. Bonds6

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

N-[1-(3-benzamidophenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 55693559) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-[1-(3-benzamidophenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[1-(3-benzamidophenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID55693559
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC NameN-[1-(3-benzamidophenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCC(NC(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C25H25N3O4S/c1-18(21-9-5-10-22(17-21)27-25(30)19-7-3-2-4-8-19)26-24(29)20-11-13-23(14-12-20)28-15-6-16-33(28,31)32/h2-5,7-14,17-18H,6,15-16H2,1H3,(H,26,29)(H,27,30)
InChIKeyPFPJSTBXEKWVJF-UHFFFAOYSA-N
XLogP3.97
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-phenylethyl)benzamide
CID 18108333
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide
CID 87003801
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46586730
N-[3-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]thiophene-2-carboxamide
CID 55516148
N-[1-(4-tert-butylphenyl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 132664679
N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-1H-indole-6-carboxamide
CID 126795841
4-tert-butyl-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505496
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-thiophen-2-ylethyl)benzamide
CID 18110994
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzamidophenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-[1-(3-benzamidophenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 55693559) is N-[1-(3-benzamidophenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-[1-(3-benzamidophenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-[1-(3-benzamidophenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is CC(NC(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[1-(3-benzamidophenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is PFPJSTBXEKWVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-18(21-9-5-10-22(17-21)27-25(30)19-7-3-2-4-8-19)26-24(29)20-11-13-23(14-12-20)28-15-6-16-33(28,31)32/h2-5,7-14,17-18H,6,15-16H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-[1-(3-benzamidophenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-[1-(3-benzamidophenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 463.56 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzamidophenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 55693559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).