N-ethyl-N-phenyl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide

C18H18N2O2S — CID 4660213

IUPACN-ethyl-N-phenyl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide
SMILESCCN(C(=O)CCn1c(=S)oc2ccccc21)c1ccccc1
InChIInChI=1S/C18H18N2O2S/c1-2-19(14-8-4-3-5-9-14)17(21)12-13-20-15-10-6-7-11-16(15)22-18(20)23/h3-11H,2,12-13H2,1H3
InChIKeyMFNZCEKYCOKBNO-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.41
Rot. Bonds5

About N-ethyl-N-phenyl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide

N-ethyl-N-phenyl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide (PubChem CID 4660213) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-ethyl-N-phenyl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide
PubChem CID4660213
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-ethyl-N-phenyl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide
SMILESCCN(C(=O)CCn1c(=S)oc2ccccc21)c1ccccc1
InChIInChI=1S/C18H18N2O2S/c1-2-19(14-8-4-3-5-9-14)17(21)12-13-20-15-10-6-7-11-16(15)22-18(20)23/h3-11H,2,12-13H2,1H3
InChIKeyMFNZCEKYCOKBNO-UHFFFAOYSA-N
XLogP4.41
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-methyl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide
CID 4133200
N-ethyl-N-(4-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 20949216
1-morpholin-4-yl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one
CID 3705975
3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanenitrile
CID 2223769
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N-ethyl-N-phenyloctadecanamide
CID 151424183
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide
CID 3235668
N-(pyridin-2-ylmethyl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide
CID 15996984
N-ethyl-3-(1-methylpyrrol-2-yl)-N-phenylpropanamide
CID 110700732
4-amino-N-ethyl-N-phenylbutanamide;hydrochloride
CID 119261842
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8728134
N-ethyl-N-phenyl-3-phenylsulfanylpropanamide
CID 132965267

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-ethyl-N-phenyl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide (CID 4660213) is N-ethyl-N-phenyl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-ethyl-N-phenyl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-ethyl-N-phenyl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide is CCN(C(=O)CCn1c(=S)oc2ccccc21)c1ccccc1.
What is the InChIKey of N-ethyl-N-phenyl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is MFNZCEKYCOKBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-2-19(14-8-4-3-5-9-14)17(21)12-13-20-15-10-6-7-11-16(15)22-18(20)23/h3-11H,2,12-13H2,1H3.
What are the key properties of N-ethyl-N-phenyl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide?
N-ethyl-N-phenyl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 326.42 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 4660213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).