N-[4-[[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide

C19H19N3O5S — CID 24790954

IUPACN-[4-[[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
SMILESCOc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H19N3O5S/c1-12-10-18(27-21-12)14-4-9-17(26-3)19(11-14)28(24,25)22-16-7-5-15(6-8-16)20-13(2)23/h4-11,22H,1-3H3,(H,20,23)
InChIKeySOBSDLKEBPZSSJ-UHFFFAOYSA-N
MW401.44 g/mol
LogP3.42
Rot. Bonds6

About N-[4-[[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide

N-[4-[[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide (PubChem CID 24790954) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[4-[[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
PubChem CID24790954
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC NameN-[4-[[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
SMILESCOc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H19N3O5S/c1-12-10-18(27-21-12)14-4-9-17(26-3)19(11-14)28(24,25)22-16-7-5-15(6-8-16)20-13(2)23/h4-11,22H,1-3H3,(H,20,23)
InChIKeySOBSDLKEBPZSSJ-UHFFFAOYSA-N
XLogP3.42
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[4-[[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide (CID 24790954) is N-[4-[[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide is COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide?
The InChIKey is SOBSDLKEBPZSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-12-10-18(27-21-12)14-4-9-17(26-3)19(11-14)28(24,25)22-16-7-5-15(6-8-16)20-13(2)23/h4-11,22H,1-3H3,(H,20,23).
What are the key properties of N-[4-[[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide?
N-[4-[[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide has a molecular weight of 401.44 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 24790954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).