4-methoxy-3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide

C16H14N2O6S — CID 110607906

IUPAC4-methoxy-3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1S(C)(=O)=O
InChIInChI=1S/C16H14N2O6S/c1-23-13-5-3-9(7-14(13)25(2,21)22)15(19)17-10-4-6-12-11(8-10)18-16(20)24-12/h3-8H,1-2H3,(H,17,19)(H,18,20)
InChIKeyRDEMMOIWXZNOKZ-UHFFFAOYSA-N
MW362.36 g/mol
LogP1.79
Rot. Bonds4

About 4-methoxy-3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide

4-methoxy-3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide (PubChem CID 110607906) has the molecular formula C16H14N2O6S and a molecular weight of 362.36 g/mol. Its IUPAC name is 4-methoxy-3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
PubChem CID110607906
Molecular FormulaC16H14N2O6S
Molecular Weight362.36 g/mol
Exact Mass362.06
IUPAC Name4-methoxy-3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1S(C)(=O)=O
InChIInChI=1S/C16H14N2O6S/c1-23-13-5-3-9(7-14(13)25(2,21)22)15(19)17-10-4-6-12-11(8-10)18-16(20)24-12/h3-8H,1-2H3,(H,17,19)(H,18,20)
InChIKeyRDEMMOIWXZNOKZ-UHFFFAOYSA-N
XLogP1.79
TPSA118.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 134019844
4-(difluoromethoxy)-3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38465227
3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-prop-2-enoxybenzamide
CID 134019993
3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37095710
4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466226
2-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 134019980
4-chloro-3-(dimethylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37096181
3,4-dimethyl-5-(methylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38467012
4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466944
N-(3-bromophenyl)-4-methoxy-3-methylsulfonylbenzamide
CID 110425977
3-bromo-4-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 110607962
N-(4-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide
CID 110766402

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 4-methoxy-3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide (CID 110607906) is 4-methoxy-3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 4-methoxy-3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 4-methoxy-3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide is COc1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1S(C)(=O)=O.
What is the InChIKey of 4-methoxy-3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is RDEMMOIWXZNOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O6S/c1-23-13-5-3-9(7-14(13)25(2,21)22)15(19)17-10-4-6-12-11(8-10)18-16(20)24-12/h3-8H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 4-methoxy-3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
4-methoxy-3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 362.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 110607906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).