4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide

C22H25N3O4S — CID 20628760

IUPAC4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide
SMILESCc1cc(-c2ncco2)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)c(C)c1
InChIInChI=1S/C22H25N3O4S/c1-14-13-17(21-23-10-11-29-21)7-8-18(14)24-20(26)16-6-9-19(15(2)12-16)25-30(27,28)22(3,4)5/h6-13,25H,1-5H3,(H,24,26)
InChIKeyUAQVSVVCYDWOFM-UHFFFAOYSA-N
MW427.53 g/mol
LogP4.75
Rot. Bonds5

About 4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide

4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide (PubChem CID 20628760) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide
PubChem CID20628760
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide
SMILESCc1cc(-c2ncco2)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)c(C)c1
InChIInChI=1S/C22H25N3O4S/c1-14-13-17(21-23-10-11-29-21)7-8-18(14)24-20(26)16-6-9-19(15(2)12-16)25-30(27,28)22(3,4)5/h6-13,25H,1-5H3,(H,24,26)
InChIKeyUAQVSVVCYDWOFM-UHFFFAOYSA-N
XLogP4.75
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide (CID 20628760) is 4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide is Cc1cc(-c2ncco2)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)c(C)c1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide?
The InChIKey is UAQVSVVCYDWOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-14-13-17(21-23-10-11-29-21)7-8-18(14)24-20(26)16-6-9-19(15(2)12-16)25-30(27,28)22(3,4)5/h6-13,25H,1-5H3,(H,24,26).
What are the key properties of 4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide?
4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide has a molecular weight of 427.53 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 20628760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).