N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C15H21N3O3S — CID 93157673

IUPACN-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC[C@H](c1ccccc1)N(C)C
InChIInChI=1S/C15H21N3O3S/c1-11-15(12(2)21-17-11)22(19,20)16-10-14(18(3)4)13-8-6-5-7-9-13/h5-9,14,16H,10H2,1-4H3/t14-/m1/s1
InChIKeyQLGUDGLJLZTAQH-CQSZACIVSA-N
MW323.42 g/mol
LogP1.87
Rot. Bonds6

About N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 93157673) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID93157673
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC[C@H](c1ccccc1)N(C)C
InChIInChI=1S/C15H21N3O3S/c1-11-15(12(2)21-17-11)22(19,20)16-10-14(18(3)4)13-8-6-5-7-9-13/h5-9,14,16H,10H2,1-4H3/t14-/m1/s1
InChIKeyQLGUDGLJLZTAQH-CQSZACIVSA-N
XLogP1.87
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 51710552
3,5-dimethyl-N-(2-phenyl-3-pyridin-3-ylpropyl)-1,2-oxazole-4-sulfonamide
CID 110361048
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide
CID 9032989
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 975376
3,5-dimethyl-N-(3-methyl-1-phenylbutyl)-1,2-oxazole-4-sulfonamide
CID 71902435
3,5-dimethyl-N-(2-methylsulfonyl-1-phenylethyl)-1,2-oxazole-4-sulfonamide
CID 71911988
N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 95982538
N-(2,2-diphenylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 26545265
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 43461531
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 90598090
(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide
CID 51925027
N-[2-(dimethylamino)-2-phenylethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61248522

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 93157673) is N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC[C@H](c1ccccc1)N(C)C.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is QLGUDGLJLZTAQH-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-11-15(12(2)21-17-11)22(19,20)16-10-14(18(3)4)13-8-6-5-7-9-13/h5-9,14,16H,10H2,1-4H3/t14-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 93157673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).