N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide

C25H25N3O4S — CID 23797022

IUPACN-[3-(1,3-benzoxazol-2-yl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1
InChIInChI=1S/C25H25N3O4S/c1-3-4-16-28(2)33(30,31)21-14-12-18(13-15-21)24(29)26-20-9-7-8-19(17-20)25-27-22-10-5-6-11-23(22)32-25/h5-15,17H,3-4,16H2,1-2H3,(H,26,29)
InChIKeyDYVHDCNQEBLGIM-UHFFFAOYSA-N
MW463.56 g/mol
LogP5.17
Rot. Bonds8

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

N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide (PubChem CID 23797022) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide
PubChem CID23797022
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1
InChIInChI=1S/C25H25N3O4S/c1-3-4-16-28(2)33(30,31)21-14-12-18(13-15-21)24(29)26-20-9-7-8-19(17-20)25-27-22-10-5-6-11-23(22)32-25/h5-15,17H,3-4,16H2,1-2H3,(H,26,29)
InChIKeyDYVHDCNQEBLGIM-UHFFFAOYSA-N
XLogP5.17
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.56
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylsulfonylbenzamide
CID 41148596
N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-(dimethylsulfamoyl)benzamide
CID 3290881
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethylsulfanylbenzamide
CID 7579240
N-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide
CID 109061485
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-methylsulfonylbenzamide
CID 7565654
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363687
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 4172683
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-methylsulfanylbenzamide
CID 7565162
4-[butyl(methyl)sulfamoyl]-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41228640
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 1068351
N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide
CID 8623651
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide
CID 3125064

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide (CID 23797022) is N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide is CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide?
The InChIKey is DYVHDCNQEBLGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-3-4-16-28(2)33(30,31)21-14-12-18(13-15-21)24(29)26-20-9-7-8-19(17-20)25-27-22-10-5-6-11-23(22)32-25/h5-15,17H,3-4,16H2,1-2H3,(H,26,29).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide?
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide has a molecular weight of 463.56 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 23797022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).