N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C19H18F2N2O4S — CID 31583328

IUPACN-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H18F2N2O4S/c1-12-18(13(2)27-22-12)28(24,25)23-17(14-6-4-3-5-7-14)15-8-10-16(11-9-15)26-19(20)21/h3-11,17,19,23H,1-2H3/t17-/m0/s1
InChIKeyRPJXDXAHNPRGDR-KRWDZBQOSA-N
MW408.43 g/mol
LogP3.96
Rot. Bonds7

About N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 31583328) has the molecular formula C19H18F2N2O4S and a molecular weight of 408.43 g/mol. Its IUPAC name is N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID31583328
Molecular FormulaC19H18F2N2O4S
Molecular Weight408.43 g/mol
Exact Mass408.10
IUPAC NameN-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H18F2N2O4S/c1-12-18(13(2)27-22-12)28(24,25)23-17(14-6-4-3-5-7-14)15-8-10-16(11-9-15)26-19(20)21/h3-11,17,19,23H,1-2H3/t17-/m0/s1
InChIKeyRPJXDXAHNPRGDR-KRWDZBQOSA-N
XLogP3.96
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 92786137
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-phenylacetamide
CID 75459963
3,5-dimethyl-N-(3-methyl-1-phenylbutyl)-1,2-oxazole-4-sulfonamide
CID 71902435
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 74229543
3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 94639946
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43020451
3,5-dimethyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 124761115
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 51927549
3,5-dimethyl-N-(1-pyridin-4-ylethyl)-1,2-oxazole-4-sulfonamide
CID 45366402
(2R)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 39995903
(2S)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]-2-phenylacetic acid
CID 119372302
N-but-3-yn-2-yl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114419106

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 31583328) is N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is RPJXDXAHNPRGDR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18F2N2O4S/c1-12-18(13(2)27-22-12)28(24,25)23-17(14-6-4-3-5-7-14)15-8-10-16(11-9-15)26-19(20)21/h3-11,17,19,23H,1-2H3/t17-/m0/s1.
What are the key properties of N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 408.43 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 31583328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).