N-[4-[[3-(1,3-benzoxazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide

C21H17N3O4S — CID 1107661

IUPACN-[4-[[3-(1,3-benzoxazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1
InChIInChI=1S/C21H17N3O4S/c1-14(25)22-16-9-11-18(12-10-16)29(26,27)24-17-6-4-5-15(13-17)21-23-19-7-2-3-8-20(19)28-21/h2-13,24H,1H3,(H,22,25)
InChIKeyUVGDROGERLILBH-UHFFFAOYSA-N
MW407.45 g/mol
LogP4.25
Rot. Bonds5

About N-[4-[[3-(1,3-benzoxazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[3-(1,3-benzoxazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 1107661) has the molecular formula C21H17N3O4S and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[4-[[3-(1,3-benzoxazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(1,3-benzoxazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide
PubChem CID1107661
Molecular FormulaC21H17N3O4S
Molecular Weight407.45 g/mol
Exact Mass407.09
IUPAC NameN-[4-[[3-(1,3-benzoxazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1
InChIInChI=1S/C21H17N3O4S/c1-14(25)22-16-9-11-18(12-10-16)29(26,27)24-17-6-4-5-15(13-17)21-23-19-7-2-3-8-20(19)28-21/h2-13,24H,1H3,(H,22,25)
InChIKeyUVGDROGERLILBH-UHFFFAOYSA-N
XLogP4.25
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(1,3-benzoxazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(1,3-benzoxazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide (CID 1107661) is N-[4-[[3-(1,3-benzoxazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(1,3-benzoxazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(1,3-benzoxazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1.
What is the InChIKey of N-[4-[[3-(1,3-benzoxazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is UVGDROGERLILBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S/c1-14(25)22-16-9-11-18(12-10-16)29(26,27)24-17-6-4-5-15(13-17)21-23-19-7-2-3-8-20(19)28-21/h2-13,24H,1H3,(H,22,25).
What are the key properties of N-[4-[[3-(1,3-benzoxazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[3-(1,3-benzoxazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 407.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(1,3-benzoxazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1107661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).