4-(1,3-dithiolan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide

C20H22N2O2S2 — CID 26907180

IUPAC4-(1,3-dithiolan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)c2ccc(C3SCCS3)cc2)cc1
InChIInChI=1S/C20H22N2O2S2/c1-13(2)18(23)21-16-7-9-17(10-8-16)22-19(24)14-3-5-15(6-4-14)20-25-11-12-26-20/h3-10,13,20H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBNQAIVDZURRRMR-UHFFFAOYSA-N
MW386.54 g/mol
LogP5.01
Rot. Bonds5

About 4-(1,3-dithiolan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide

4-(1,3-dithiolan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide (PubChem CID 26907180) has the molecular formula C20H22N2O2S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 4-(1,3-dithiolan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-(1,3-dithiolan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
PubChem CID26907180
Molecular FormulaC20H22N2O2S2
Molecular Weight386.54 g/mol
Exact Mass386.11
IUPAC Name4-(1,3-dithiolan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)c2ccc(C3SCCS3)cc2)cc1
InChIInChI=1S/C20H22N2O2S2/c1-13(2)18(23)21-16-7-9-17(10-8-16)22-19(24)14-3-5-15(6-4-14)20-25-11-12-26-20/h3-10,13,20H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBNQAIVDZURRRMR-UHFFFAOYSA-N
XLogP5.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(1,3-dithiolan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
4-(1,3-dithiolan-2-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 7962066
4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoic acid
CID 17172328
propyl 4-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]benzoate
CID 26199145
N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 39088297
4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 42120723
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate
CID 7744361
N-(1,3-benzodioxol-5-yl)-4-(2-methylpropanoylamino)benzamide
CID 970946
N-(3,5-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 51179788
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55824637
4-(1,3-dithiolan-2-yl)-N-(3-methylsulfanylphenyl)benzamide
CID 8761867
N-(dicyclopropylmethyl)-4-(1,3-dithiolan-2-yl)benzamide
CID 36573754

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithiolan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The IUPAC name of 4-(1,3-dithiolan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide (CID 26907180) is 4-(1,3-dithiolan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 4-(1,3-dithiolan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 4-(1,3-dithiolan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide is CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(C3SCCS3)cc2)cc1.
What is the InChIKey of 4-(1,3-dithiolan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The InChIKey is BNQAIVDZURRRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S2/c1-13(2)18(23)21-16-7-9-17(10-8-16)22-19(24)14-3-5-15(6-4-14)20-25-11-12-26-20/h3-10,13,20H,11-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 4-(1,3-dithiolan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
4-(1,3-dithiolan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide has a molecular weight of 386.54 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dithiolan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 26907180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).