3-methyl-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzenesulfonamide

C18H14N2O3S2 — CID 177345313

IUPAC3-methyl-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2nc3cc(-c4ccsc4)ccc3o2)c1
InChIInChI=1S/C18H14N2O3S2/c1-12-3-2-4-15(9-12)25(21,22)20-18-19-16-10-13(5-6-17(16)23-18)14-7-8-24-11-14/h2-11H,1H3,(H,19,20)
InChIKeyZOFDQFXQFBMVLK-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.67
Rot. Bonds4

About 3-methyl-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzenesulfonamide

3-methyl-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzenesulfonamide (PubChem CID 177345313) has the molecular formula C18H14N2O3S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-methyl-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzenesulfonamide
PubChem CID177345313
Molecular FormulaC18H14N2O3S2
Molecular Weight370.46 g/mol
Exact Mass370.04
IUPAC Name3-methyl-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2nc3cc(-c4ccsc4)ccc3o2)c1
InChIInChI=1S/C18H14N2O3S2/c1-12-3-2-4-15(9-12)25(21,22)20-18-19-16-10-13(5-6-17(16)23-18)14-7-8-24-11-14/h2-11H,1H3,(H,19,20)
InChIKeyZOFDQFXQFBMVLK-UHFFFAOYSA-N
XLogP4.67
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)benzenesulfonamide
CID 102348080
3-fluoro-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzamide
CID 177345301
N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)benzamide
CID 177345280
ethane;3-(3-methylphenyl)thiophene
CID 143181540
3-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625699
N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide
CID 53324532
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262
4-hydroxy-N-(2-methyl-5-thiophen-3-ylphenyl)benzenesulfonamide
CID 67283407
3-(4-methyl-1,3-thiazol-2-yl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 167858511
3-[(3-methylphenyl)sulfonylamino]-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propanamide
CID 122276744
3-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 3384228
N-(2,1,3-benzothiadiazol-5-yl)-3-methylbenzenesulfonamide
CID 42545343

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzenesulfonamide (CID 177345313) is 3-methyl-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2nc3cc(-c4ccsc4)ccc3o2)c1.
What is the InChIKey of 3-methyl-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzenesulfonamide?
The InChIKey is ZOFDQFXQFBMVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S2/c1-12-3-2-4-15(9-12)25(21,22)20-18-19-16-10-13(5-6-17(16)23-18)14-7-8-24-11-14/h2-11H,1H3,(H,19,20).
What are the key properties of 3-methyl-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzenesulfonamide?
3-methyl-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzenesulfonamide has a molecular weight of 370.46 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 177345313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).