4-butoxy-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide

C20H24N2O4S — CID 7483166

IUPAC4-butoxy-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cc1
InChIInChI=1S/C20H24N2O4S/c1-2-3-13-26-19-10-8-16(9-11-19)20(23)21-17-6-4-7-18(15-17)22-12-5-14-27(22,24)25/h4,6-11,15H,2-3,5,12-14H2,1H3,(H,21,23)
InChIKeyHTWWOBNYIMRJQP-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.66
Rot. Bonds7

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

4-butoxy-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide (PubChem CID 7483166) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-butoxy-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
PubChem CID7483166
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name4-butoxy-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cc1
InChIInChI=1S/C20H24N2O4S/c1-2-3-13-26-19-10-8-16(9-11-19)20(23)21-17-6-4-7-18(15-17)22-12-5-14-27(22,24)25/h4,6-11,15H,2-3,5,12-14H2,1H3,(H,21,23)
InChIKeyHTWWOBNYIMRJQP-UHFFFAOYSA-N
XLogP3.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(phenoxymethyl)benzamide
CID 112824130
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4,5-triethoxybenzamide
CID 18564859
4-tert-butyl-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505496
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 7638744
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
N-(2-butoxy-5-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55675382
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 7638801
N-[3-(azepane-1-carbonyl)phenyl]-4-butoxybenzamide
CID 26159451
4-hexoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168496
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-4-ethoxybenzamide
CID 7483201
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 7638785

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide?
The IUPAC name of 4-butoxy-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide (CID 7483166) is 4-butoxy-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-butoxy-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide is CCCCOc1ccc(C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cc1.
What is the InChIKey of 4-butoxy-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide?
The InChIKey is HTWWOBNYIMRJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-2-3-13-26-19-10-8-16(9-11-19)20(23)21-17-6-4-7-18(15-17)22-12-5-14-27(22,24)25/h4,6-11,15H,2-3,5,12-14H2,1H3,(H,21,23).
What are the key properties of 4-butoxy-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide?
4-butoxy-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide has a molecular weight of 388.49 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide is sourced from PubChem (CID 7483166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).