N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(propylsulfonylamino)benzamide

C17H17N3O5S — CID 37155913

IUPACN-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)c1
InChIInChI=1S/C17H17N3O5S/c1-2-8-26(23,24)20-13-5-3-4-11(9-13)16(21)18-12-6-7-15-14(10-12)19-17(22)25-15/h3-7,9-10,20H,2,8H2,1H3,(H,18,21)(H,19,22)
InChIKeyWKUDHEFPTVEYHV-UHFFFAOYSA-N
MW375.41 g/mol
LogP2.53
Rot. Bonds6

About N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(propylsulfonylamino)benzamide

N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(propylsulfonylamino)benzamide (PubChem CID 37155913) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(propylsulfonylamino)benzamide
PubChem CID37155913
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC NameN-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)c1
InChIInChI=1S/C17H17N3O5S/c1-2-8-26(23,24)20-13-5-3-4-11(9-13)16(21)18-12-6-7-15-14(10-12)19-17(22)25-15/h3-7,9-10,20H,2,8H2,1H3,(H,18,21)(H,19,22)
InChIKeyWKUDHEFPTVEYHV-UHFFFAOYSA-N
XLogP2.53
TPSA121.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37095710
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37091487
4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 38466362
2-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 134019980
4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466226
3-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propane-1-sulfonamide
CID 54877723
6-ethoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 87015454
4-methoxy-3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 110607906
4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466944
methyl 3-[(2-oxo-3H-1,3-benzoxazole-6-carbonyl)amino]benzoate
CID 110766421
4-chloro-3-(dimethylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37096181

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(propylsulfonylamino)benzamide?
The IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(propylsulfonylamino)benzamide (CID 37155913) is N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(propylsulfonylamino)benzamide?
The canonical SMILES for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)c1.
What is the InChIKey of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(propylsulfonylamino)benzamide?
The InChIKey is WKUDHEFPTVEYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-2-8-26(23,24)20-13-5-3-4-11(9-13)16(21)18-12-6-7-15-14(10-12)19-17(22)25-15/h3-7,9-10,20H,2,8H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(propylsulfonylamino)benzamide?
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(propylsulfonylamino)benzamide has a molecular weight of 375.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 37155913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).