N-[2-(diethylamino)propyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide

C18H27N3O3S — CID 110620380

IUPACN-[2-(diethylamino)propyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESCCN(CC)C(C)CNS(=O)(=O)c1ccc(-c2nc(C)oc2C)cc1
InChIInChI=1S/C18H27N3O3S/c1-6-21(7-2)13(3)12-19-25(22,23)17-10-8-16(9-11-17)18-14(4)24-15(5)20-18/h8-11,13,19H,6-7,12H2,1-5H3
InChIKeyQEBBOOKQTYKVTC-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.97
Rot. Bonds8

About N-[2-(diethylamino)propyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide

N-[2-(diethylamino)propyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide (PubChem CID 110620380) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)propyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide
PubChem CID110620380
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-[2-(diethylamino)propyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESCCN(CC)C(C)CNS(=O)(=O)c1ccc(-c2nc(C)oc2C)cc1
InChIInChI=1S/C18H27N3O3S/c1-6-21(7-2)13(3)12-19-25(22,23)17-10-8-16(9-11-17)18-14(4)24-15(5)20-18/h8-11,13,19H,6-7,12H2,1-5H3
InChIKeyQEBBOOKQTYKVTC-UHFFFAOYSA-N
XLogP2.97
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-methoxybenzenesulfonamide
CID 110611820
N-[2-(diethylamino)propyl]-4-methylsulfonylbenzenesulfonamide
CID 42960034
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 110417096
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-phenylpropyl)benzenesulfonamide
CID 110414948
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110675358
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide
CID 110632442
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 110634121
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 110419289
4-[[(2S)-2-(diethylamino)propyl]sulfamoyl]-N,N-diethylbenzamide
CID 95341841
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 110417093
N-[2-(diethylamino)propyl]pyridine-3-sulfonamide
CID 60548624
N-[2-(diethylamino)propyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
CID 60532350

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of N-[2-(diethylamino)propyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide (CID 110620380) is N-[2-(diethylamino)propyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-[2-(diethylamino)propyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-[2-(diethylamino)propyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide is CCN(CC)C(C)CNS(=O)(=O)c1ccc(-c2nc(C)oc2C)cc1.
What is the InChIKey of N-[2-(diethylamino)propyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide?
The InChIKey is QEBBOOKQTYKVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-6-21(7-2)13(3)12-19-25(22,23)17-10-8-16(9-11-17)18-14(4)24-15(5)20-18/h8-11,13,19H,6-7,12H2,1-5H3.
What are the key properties of N-[2-(diethylamino)propyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide?
N-[2-(diethylamino)propyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide has a molecular weight of 365.50 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)propyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 110620380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).