N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C19H21N3O5S — CID 55947553

IUPACN-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1C
InChIInChI=1S/C19H21N3O5S/c1-3-28(25,26)21-15-9-8-14(12-13(15)2)20-18(23)10-11-22-16-6-4-5-7-17(16)27-19(22)24/h4-9,12,21H,3,10-11H2,1-2H3,(H,20,23)
InChIKeyOBYKIJOIUPYZTB-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.69
Rot. Bonds7

About N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 55947553) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID55947553
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC NameN-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1C
InChIInChI=1S/C19H21N3O5S/c1-3-28(25,26)21-15-9-8-14(12-13(15)2)20-18(23)10-11-22-16-6-4-5-7-17(16)27-19(22)24/h4-9,12,21H,3,10-11H2,1-2H3,(H,20,23)
InChIKeyOBYKIJOIUPYZTB-UHFFFAOYSA-N
XLogP2.69
TPSA110.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(2-oxo-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-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 42370403
N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 3163772
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
CID 55504169
N-(3-chloro-4-methoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7580962
N-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7992559
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 30684834
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide
CID 46578619
N-(2-acetamido-5-chlorophenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 47086338
N-[4-(diethoxyphosphorylmethyl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 3868557
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-oxo-1H-pyridin-3-yl)propanamide
CID 51101208
N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822292
2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 119739287

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 55947553) is N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is CCS(=O)(=O)Nc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1C.
What is the InChIKey of N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is OBYKIJOIUPYZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-3-28(25,26)21-15-9-8-14(12-13(15)2)20-18(23)10-11-22-16-6-4-5-7-17(16)27-19(22)24/h4-9,12,21H,3,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 403.46 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 55947553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).