N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide

C16H20N2O5S — CID 110390427

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
SMILESCCN(C(=O)CCc1ccc2oc(=O)[nH]c2c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H20N2O5S/c1-2-18(12-7-8-24(21,22)10-12)15(19)6-4-11-3-5-14-13(9-11)17-16(20)23-14/h3,5,9,12H,2,4,6-8,10H2,1H3,(H,17,20)
InChIKeyWKULVSKTTPTYRH-UHFFFAOYSA-N
MW352.41 g/mol
LogP1.09
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide (PubChem CID 110390427) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
PubChem CID110390427
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
SMILESCCN(C(=O)CCc1ccc2oc(=O)[nH]c2c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H20N2O5S/c1-2-18(12-7-8-24(21,22)10-12)15(19)6-4-11-3-5-14-13(9-11)17-16(20)23-14/h3,5,9,12H,2,4,6-8,10H2,1H3,(H,17,20)
InChIKeyWKULVSKTTPTYRH-UHFFFAOYSA-N
XLogP1.09
TPSA100.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-oxo-3H-1,3-benzoxazol-5-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-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110772120
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 110673907
N-(1,1-dioxothiolan-3-yl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110773979
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(4-ethylphenyl)-4-oxobutanamide
CID 134028550
3-(2-aminophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide;hydrochloride
CID 120608067
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-pyridin-2-ylpropanamide
CID 110389197
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanamide;formic acid
CID 163341199
[2-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 7897272
2-(2,3-dihydro-1H-inden-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 110767302
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 110700040
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(1H-pyrazol-4-yl)butanamide
CID 70710324
N-butyl-3-(4-tert-butylphenyl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 134026792

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide (CID 110390427) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide is CCN(C(=O)CCc1ccc2oc(=O)[nH]c2c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is WKULVSKTTPTYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-2-18(12-7-8-24(21,22)10-12)15(19)6-4-11-3-5-14-13(9-11)17-16(20)23-14/h3,5,9,12H,2,4,6-8,10H2,1H3,(H,17,20).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 352.41 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 110390427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).