N-(3-aminopropyl)-N-benzyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide

C20H23N3O3S — CID 120664173

IUPACN-(3-aminopropyl)-N-benzyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)N(CCCN)Cc3ccccc3)cc2)co1
InChIInChI=1S/C20H23N3O3S/c1-16-22-20(15-26-16)18-8-10-19(11-9-18)27(24,25)23(13-5-12-21)14-17-6-3-2-4-7-17/h2-4,6-11,15H,5,12-14,21H2,1H3
InChIKeyHWNZJERQKSOGEH-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.19
Rot. Bonds8

About N-(3-aminopropyl)-N-benzyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide

N-(3-aminopropyl)-N-benzyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide (PubChem CID 120664173) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
PubChem CID120664173
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-(3-aminopropyl)-N-benzyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)N(CCCN)Cc3ccccc3)cc2)co1
InChIInChI=1S/C20H23N3O3S/c1-16-22-20(15-26-16)18-8-10-19(11-9-18)27(24,25)23(13-5-12-21)14-17-6-3-2-4-7-17/h2-4,6-11,15H,5,12-14,21H2,1H3
InChIKeyHWNZJERQKSOGEH-UHFFFAOYSA-N
XLogP3.19
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583148
N-(3-aminopropyl)-N-benzyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride
CID 120664178
N-(3-aminopropyl)-N-benzyl-4-propan-2-yloxybenzenesulfonamide
CID 120664319
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N-(3-aminopropyl)-N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide
CID 120664335
N-(3-aminopropyl)-N-benzyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 120664430
N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylbenzenesulfonamide
CID 53306514
N-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide
CID 120664269
N-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide
CID 120664086
N-(3-aminopropyl)-N-benzyl-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
CID 120664341
N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride
CID 120664411
N-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide
CID 120664143

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide (CID 120664173) is N-(3-aminopropyl)-N-benzyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide is Cc1nc(-c2ccc(S(=O)(=O)N(CCCN)Cc3ccccc3)cc2)co1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The InChIKey is HWNZJERQKSOGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-16-22-20(15-26-16)18-8-10-19(11-9-18)27(24,25)23(13-5-12-21)14-17-6-3-2-4-7-17/h2-4,6-11,15H,5,12-14,21H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-benzyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
N-(3-aminopropyl)-N-benzyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 120664173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).