3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-4-sulfonamide

C17H17N3O3S — CID 92786137

IUPAC3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C17H17N3O3S/c1-12-17(13(2)23-19-12)24(21,22)20-16(14-8-4-3-5-9-14)15-10-6-7-11-18-15/h3-11,16,20H,1-2H3/t16-/m0/s1
InChIKeyBPINFFPHEDLULD-INIZCTEOSA-N
MW343.41 g/mol
LogP2.75
Rot. Bonds5

About 3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-4-sulfonamide (PubChem CID 92786137) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
PubChem CID92786137
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C17H17N3O3S/c1-12-17(13(2)23-19-12)24(21,22)20-16(14-8-4-3-5-9-14)15-10-6-7-11-18-15/h3-11,16,20H,1-2H3/t16-/m0/s1
InChIKeyBPINFFPHEDLULD-INIZCTEOSA-N
XLogP2.75
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25327185
N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 31583328
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
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-phenylacetamide
CID 75459963
5-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 39794094
3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 94639946
3,5-dimethyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 124761115
2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine
CID 95133440
4-[(2R)-butan-2-yl]-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357202
2-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 51169894
4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357201

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-4-sulfonamide (CID 92786137) is 3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N[C@@H](c1ccccc1)c1ccccn1.
What is the InChIKey of 3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is BPINFFPHEDLULD-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-12-17(13(2)23-19-12)24(21,22)20-16(14-8-4-3-5-9-14)15-10-6-7-11-18-15/h3-11,16,20H,1-2H3/t16-/m0/s1.
What are the key properties of 3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 92786137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).