N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide

C18H16N2O4S — CID 3235668

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide
SMILESO=C(CCn1c(=S)oc2ccccc21)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H16N2O4S/c21-17(19-12-5-6-15-16(11-12)23-10-9-22-15)7-8-20-13-3-1-2-4-14(13)24-18(20)25/h1-6,11H,7-10H2,(H,19,21)
InChIKeyKCWOSAONWCPRME-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.76
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide (PubChem CID 3235668) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide
PubChem CID3235668
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide
SMILESO=C(CCn1c(=S)oc2ccccc21)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H16N2O4S/c21-17(19-12-5-6-15-16(11-12)23-10-9-22-15)7-8-20-13-3-1-2-4-14(13)24-18(20)25/h1-6,11H,7-10H2,(H,19,21)
InChIKeyKCWOSAONWCPRME-UHFFFAOYSA-N
XLogP3.76
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide 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-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(9-oxoacridin-10-yl)butanamide
CID 15998549
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806354
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51195650
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-sulfanylidenebutanamide
CID 82122796
1-morpholin-4-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one
CID 3705975
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 41382461
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 704893
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 27845650
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-indol-1-ylacetamide
CID 39339095
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)propanamide
CID 51276703
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 892697

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide (CID 3235668) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide is O=C(CCn1c(=S)oc2ccccc21)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is KCWOSAONWCPRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c21-17(19-12-5-6-15-16(11-12)23-10-9-22-15)7-8-20-13-3-1-2-4-14(13)24-18(20)25/h1-6,11H,7-10H2,(H,19,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 356.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 3235668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).