N-(3,4-dimethoxyphenyl)-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide

C18H19N3O7S — CID 51035365

IUPACN-(3,4-dimethoxyphenyl)-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide
SMILESCOc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1OC
InChIInChI=1S/C18H19N3O7S/c1-26-14-6-3-11(9-16(14)27-2)20-17(22)7-8-19-29(24,25)12-4-5-13-15(10-12)28-18(23)21-13/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJIEHGUOAFNCSTK-UHFFFAOYSA-N
MW421.43 g/mol
LogP1.45
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide

N-(3,4-dimethoxyphenyl)-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide (PubChem CID 51035365) has the molecular formula C18H19N3O7S and a molecular weight of 421.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide
PubChem CID51035365
Molecular FormulaC18H19N3O7S
Molecular Weight421.43 g/mol
Exact Mass421.09
IUPAC NameN-(3,4-dimethoxyphenyl)-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide
SMILESCOc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1OC
InChIInChI=1S/C18H19N3O7S/c1-26-14-6-3-11(9-16(14)27-2)20-17(22)7-8-19-29(24,25)12-4-5-13-15(10-12)28-18(23)21-13/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJIEHGUOAFNCSTK-UHFFFAOYSA-N
XLogP1.45
TPSA139.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide (CID 51035365) is N-(3,4-dimethoxyphenyl)-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide is COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide?
The InChIKey is JIEHGUOAFNCSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O7S/c1-26-14-6-3-11(9-16(14)27-2)20-17(22)7-8-19-29(24,25)12-4-5-13-15(10-12)28-18(23)21-13/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide?
N-(3,4-dimethoxyphenyl)-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide has a molecular weight of 421.43 g/mol, XLogP of 1.45, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide is sourced from PubChem (CID 51035365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).