3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(2-phenylethyl)propanamide

C19H21N3O5S — CID 3239746

IUPAC3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(2-phenylethyl)propanamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)NCCc3ccccc3)ccc21
InChIInChI=1S/C19H21N3O5S/c1-22-16-8-7-15(13-17(16)27-19(22)24)28(25,26)21-12-10-18(23)20-11-9-14-5-3-2-4-6-14/h2-8,13,21H,9-12H2,1H3,(H,20,23)
InChIKeyZJTGPKNBBXBLRC-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.16
Rot. Bonds8

About 3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(2-phenylethyl)propanamide

3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(2-phenylethyl)propanamide (PubChem CID 3239746) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is 3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(2-phenylethyl)propanamide
PubChem CID3239746
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(2-phenylethyl)propanamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)NCCc3ccccc3)ccc21
InChIInChI=1S/C19H21N3O5S/c1-22-16-8-7-15(13-17(16)27-19(22)24)28(25,26)21-12-10-18(23)20-11-9-14-5-3-2-4-6-14/h2-8,13,21H,9-12H2,1H3,(H,20,23)
InChIKeyZJTGPKNBBXBLRC-UHFFFAOYSA-N
XLogP1.16
TPSA110.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(2-phenylethyl)propanamide (CID 3239746) is 3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(2-phenylethyl)propanamide is Cn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)NCCc3ccccc3)ccc21.
What is the InChIKey of 3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(2-phenylethyl)propanamide?
The InChIKey is ZJTGPKNBBXBLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-22-16-8-7-15(13-17(16)27-19(22)24)28(25,26)21-12-10-18(23)20-11-9-14-5-3-2-4-6-14/h2-8,13,21H,9-12H2,1H3,(H,20,23).
What are the key properties of 3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(2-phenylethyl)propanamide?
3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(2-phenylethyl)propanamide has a molecular weight of 403.46 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 3239746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).