N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C19H25N3O3S — CID 112980886

IUPACN-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(NCCC2=CCCCC2)cc1
InChIInChI=1S/C19H25N3O3S/c1-14-19(15(2)25-21-14)26(23,24)22-18-10-8-17(9-11-18)20-13-12-16-6-4-3-5-7-16/h6,8-11,20,22H,3-5,7,12-13H2,1-2H3
InChIKeyORHUJODIYGCVPB-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.39
Rot. Bonds7

About N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 112980886) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID112980886
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(NCCC2=CCCCC2)cc1
InChIInChI=1S/C19H25N3O3S/c1-14-19(15(2)25-21-14)26(23,24)22-18-10-8-17(9-11-18)20-13-12-16-6-4-3-5-7-16/h6,8-11,20,22H,3-5,7,12-13H2,1-2H3
InChIKeyORHUJODIYGCVPB-UHFFFAOYSA-N
XLogP4.39
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-3-methylbenzenesulfonamide
CID 112980883
N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112983434
3,5-dimethyl-N-[4-(propan-2-ylamino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112979926
4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 61147188
3,5-dimethyl-N-[4-(4-methylanilino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112986072
N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 8603709
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110669909
N-(4-ethylsulfanylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110778642
N-[4-(N-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112986593
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113010296
3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829
ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzoate
CID 7400931

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 112980886) is N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc(NCCC2=CCCCC2)cc1.
What is the InChIKey of N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is ORHUJODIYGCVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14-19(15(2)25-21-14)26(23,24)22-18-10-8-17(9-11-18)20-13-12-16-6-4-3-5-7-16/h6,8-11,20,22H,3-5,7,12-13H2,1-2H3.
What are the key properties of N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 375.49 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 112980886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).