N-benzyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzamide

C24H22N2O4S — CID 17454038

IUPACN-benzyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzamide
SMILESO=C(CSc1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C24H22N2O4S/c27-23(16-31-18-10-11-21-22(14-18)30-13-12-29-21)26-20-9-5-4-8-19(20)24(28)25-15-17-6-2-1-3-7-17/h1-11,14H,12-13,15-16H2,(H,25,28)(H,26,27)
InChIKeyRHEGVRWXONOJLB-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.12
Rot. Bonds7

About N-benzyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzamide

N-benzyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzamide (PubChem CID 17454038) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-benzyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzamide
PubChem CID17454038
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC NameN-benzyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzamide
SMILESO=C(CSc1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C24H22N2O4S/c27-23(16-31-18-10-11-21-22(14-18)30-13-12-29-21)26-20-9-5-4-8-19(20)24(28)25-15-17-6-2-1-3-7-17/h1-11,14H,12-13,15-16H2,(H,25,28)(H,26,27)
InChIKeyRHEGVRWXONOJLB-UHFFFAOYSA-N
XLogP4.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]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

N-(3-amino-3-oxopropyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzamide
CID 56573053
N-benzyl-2-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]acetyl]amino]benzamide
CID 21367269
2-chloro-N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide
CID 4805905
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide
CID 2606684
2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-N-benzylbenzamide
CID 9006473
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methoxyphenyl)acetamide
CID 7976711
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 718621
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-fluorophenyl)acetamide
CID 7458007
N-(2,5-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
CID 7457680
N-benzyl-2-[[2-(2-methoxyphenyl)sulfanylacetyl]amino]benzamide
CID 52772307
N-(2-bromophenyl)-2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]acetamide
CID 55402161
2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-phenylethyl)benzamide
CID 8886336

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzamide (CID 17454038) is N-benzyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzamide is O=C(CSc1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzamide?
The InChIKey is RHEGVRWXONOJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c27-23(16-31-18-10-11-21-22(14-18)30-13-12-29-21)26-20-9-5-4-8-19(20)24(28)25-15-17-6-2-1-3-7-17/h1-11,14H,12-13,15-16H2,(H,25,28)(H,26,27).
What are the key properties of N-benzyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzamide?
N-benzyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzamide has a molecular weight of 434.52 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzamide is sourced from PubChem (CID 17454038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).