N-[2-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide

C27H21N3O4S — CID 25045980

IUPACN-[2-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2-c2nc3ccccc3o2)cc1
InChIInChI=1S/C27H21N3O4S/c1-18-14-16-19(17-15-18)35(32,33)30-23-11-5-2-8-20(23)26(31)28-22-10-4-3-9-21(22)27-29-24-12-6-7-13-25(24)34-27/h2-17,30H,1H3,(H,28,31)
InChIKeyJPUZLMRDTSHEPO-UHFFFAOYSA-N
MW483.55 g/mol
LogP5.86
Rot. Bonds6

About N-[2-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide

N-[2-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 25045980) has the molecular formula C27H21N3O4S and a molecular weight of 483.55 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID25045980
Molecular FormulaC27H21N3O4S
Molecular Weight483.55 g/mol
Exact Mass483.13
IUPAC NameN-[2-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2-c2nc3ccccc3o2)cc1
InChIInChI=1S/C27H21N3O4S/c1-18-14-16-19(17-15-18)35(32,33)30-23-11-5-2-8-20(23)26(31)28-22-10-4-3-9-21(22)27-29-24-12-6-7-13-25(24)34-27/h2-17,30H,1H3,(H,28,31)
InChIKeyJPUZLMRDTSHEPO-UHFFFAOYSA-N
XLogP5.86
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.55
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 3992916
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 3480387
N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 126385456
3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 3656399
2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-oxazol-2-yl)benzamide
CID 70789374
2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 23378599
N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 3521473
methyl 4-[[2-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]benzoate
CID 23934647
methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 2980517
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
4-methyl-N-[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzenesulfonamide
CID 4711775
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 25040510

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[2-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide (CID 25045980) is N-[2-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2-c2nc3ccccc3o2)cc1.
What is the InChIKey of N-[2-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is JPUZLMRDTSHEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O4S/c1-18-14-16-19(17-15-18)35(32,33)30-23-11-5-2-8-20(23)26(31)28-22-10-4-3-9-21(22)27-29-24-12-6-7-13-25(24)34-27/h2-17,30H,1H3,(H,28,31).
What are the key properties of N-[2-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
N-[2-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 483.55 g/mol, XLogP of 5.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 25045980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).