N-[3-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide

C23H25N3O4S — CID 52689645

IUPACN-[3-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1cccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C23H25N3O4S/c1-16-22(15-24-30-16)23(27)25-19-8-5-9-20(14-19)26-31(28,29)21-12-10-18(11-13-21)17-6-3-2-4-7-17/h5,8-15,17,26H,2-4,6-7H2,1H3,(H,25,27)
InChIKeyVWPIEKPISSKZAG-UHFFFAOYSA-N
MW439.54 g/mol
LogP5.08
Rot. Bonds6

About N-[3-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[3-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 52689645) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[3-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID52689645
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-[3-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1cccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C23H25N3O4S/c1-16-22(15-24-30-16)23(27)25-19-8-5-9-20(14-19)26-31(28,29)21-12-10-18(11-13-21)17-6-3-2-4-7-17/h5,8-15,17,26H,2-4,6-7H2,1H3,(H,25,27)
InChIKeyVWPIEKPISSKZAG-UHFFFAOYSA-N
XLogP5.08
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.54
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide
CID 52689679
N-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 60579145
N-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 52689701
4-cyclohexyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 18515473
5-methyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide
CID 52689707
N-[4-[(4-carbamoylphenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 55864760
N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 56582601
N-[4-[(4-cyanophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 55864379
N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540803
N-cyclopropyl-3-[(4-cyclopropylphenyl)sulfonylamino]benzamide
CID 167833629
N'-(4-cyclohexylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980824
3-[3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid
CID 115339293

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 52689645) is N-[3-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1cccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c1.
What is the InChIKey of N-[3-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is VWPIEKPISSKZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-16-22(15-24-30-16)23(27)25-19-8-5-9-20(14-19)26-31(28,29)21-12-10-18(11-13-21)17-6-3-2-4-7-17/h5,8-15,17,26H,2-4,6-7H2,1H3,(H,25,27).
What are the key properties of N-[3-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[3-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 52689645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).