N-[3-[(1S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]ethyl]phenyl]methanesulfonamide

C16H23N3O3S — CID 99576730

IUPACN-[3-[(1S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]ethyl]phenyl]methanesulfonamide
SMILESCCc1noc(C)c1CN[C@@H](C)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C16H23N3O3S/c1-5-16-15(12(3)22-18-16)10-17-11(2)13-7-6-8-14(9-13)19-23(4,20)21/h6-9,11,17,19H,5,10H2,1-4H3/t11-/m0/s1
InChIKeyPQSBKOGKLIZRIG-NSHDSACASA-N
MW337.45 g/mol
LogP2.77
Rot. Bonds7

About N-[3-[(1S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]ethyl]phenyl]methanesulfonamide

N-[3-[(1S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]ethyl]phenyl]methanesulfonamide (PubChem CID 99576730) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[3-[(1S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(1S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]ethyl]phenyl]methanesulfonamide
PubChem CID99576730
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN-[3-[(1S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]ethyl]phenyl]methanesulfonamide
SMILESCCc1noc(C)c1CN[C@@H](C)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C16H23N3O3S/c1-5-16-15(12(3)22-18-16)10-17-11(2)13-7-6-8-14(9-13)19-23(4,20)21/h6-9,11,17,19H,5,10H2,1-4H3/t11-/m0/s1
InChIKeyPQSBKOGKLIZRIG-NSHDSACASA-N
XLogP2.77
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(1S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]ethyl]phenyl]methanesulfonamide with MolForge

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Related Compounds

N-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide
CID 43508153
N-[4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]ethyl]phenyl]methanesulfonamide
CID 91644789
N-[3-[(1S)-1-[[4-(cyanomethyl)phenyl]methylamino]ethyl]phenyl]methanesulfonamide
CID 100638212
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60512827
N-[3-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
CID 34284543
N-[3-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
CID 34284551
N-[3-[1-[3-(3-chlorophenoxy)propylamino]ethyl]phenyl]methanesulfonamide
CID 75455958
1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea
CID 94196351
N-[3-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide
CID 43508144
2-[1-[3-(methanesulfonamido)phenyl]ethylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 75455956
molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide
CID 171098076
N-(2-methylpropylsulfamoyl)-3-[1-(propylamino)ethyl]aniline
CID 114814956

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(1S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]ethyl]phenyl]methanesulfonamide (CID 99576730) is N-[3-[(1S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(1S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(1S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]ethyl]phenyl]methanesulfonamide is CCc1noc(C)c1CN[C@@H](C)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[3-[(1S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]ethyl]phenyl]methanesulfonamide?
The InChIKey is PQSBKOGKLIZRIG-NSHDSACASA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-5-16-15(12(3)22-18-16)10-17-11(2)13-7-6-8-14(9-13)19-23(4,20)21/h6-9,11,17,19H,5,10H2,1-4H3/t11-/m0/s1.
What are the key properties of N-[3-[(1S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]ethyl]phenyl]methanesulfonamide?
N-[3-[(1S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]ethyl]phenyl]methanesulfonamide has a molecular weight of 337.45 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S)-1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylamino]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 99576730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).