5-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide

C19H18F2N2O3S2 — CID 67525302

IUPAC5-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide
SMILESCC(F)(F)c1cc(-c2ccc(S(=O)(=O)N[C@H]3C[C@]3(C)c3ccccc3)s2)no1
InChIInChI=1S/C19H18F2N2O3S2/c1-18(12-6-4-3-5-7-12)11-15(18)23-28(24,25)17-9-8-14(27-17)13-10-16(26-22-13)19(2,20)21/h3-10,15,23H,11H2,1-2H3/t15-,18+/m0/s1
InChIKeyYCAREBKGMBUKGB-MAUKXSAKSA-N
MW424.49 g/mol
LogP4.52
Rot. Bonds6

About 5-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide

5-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide (PubChem CID 67525302) has the molecular formula C19H18F2N2O3S2 and a molecular weight of 424.49 g/mol. Its IUPAC name is 5-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide
PubChem CID67525302
Molecular FormulaC19H18F2N2O3S2
Molecular Weight424.49 g/mol
Exact Mass424.07
IUPAC Name5-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide
SMILESCC(F)(F)c1cc(-c2ccc(S(=O)(=O)N[C@H]3C[C@]3(C)c3ccccc3)s2)no1
InChIInChI=1S/C19H18F2N2O3S2/c1-18(12-6-4-3-5-7-12)11-15(18)23-28(24,25)17-9-8-14(27-17)13-10-16(26-22-13)19(2,20)21/h3-10,15,23H,11H2,1-2H3/t15-,18+/m0/s1
InChIKeyYCAREBKGMBUKGB-MAUKXSAKSA-N
XLogP4.52
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-N-[(1S,2R,3R)-2,3-dimethyl-2-phenylcyclopropyl]thiophene-2-sulfonamide
CID 67526138
carbonic acid;5-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-N-[(1S,2R,3R)-2,3-dimethyl-2-phenylcyclopropyl]thiophene-2-sulfonamide
CID 67526137
5-(4-hydroxyphenyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide
CID 67525631
carbonic acid;5-(3,5-difluoro-2-pyridinyl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide
CID 67525310
(1R,2R,3S)-2,3-dimethyl-2-phenyl-1-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxylic acid
CID 67524442
trans-(1S,2R)-2,3-dimethyl-2-phenyl-1-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxylic acid
CID 59692451
carbonic acid;5-(3-hydroxybenzotriazol-5-yl)-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide
CID 67524766
cis-tert-butyl (1S,2S)-1-[[5-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylamino]-2-methyl-3-phenylcyclopropane-1-carboxylate
CID 59692326
5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide
CID 6977648
tert-butyl (1S)-2-methyl-2-phenyl-1-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxylate
CID 58703265
carbonic acid;N-[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 67525406
cis-(1S,2S)-1-[[5-[5-(1,1,2,2,2-pentafluoroethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 59692834

Frequently Asked Questions

What is the IUPAC name of 5-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide (CID 67525302) is 5-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide is CC(F)(F)c1cc(-c2ccc(S(=O)(=O)N[C@H]3C[C@]3(C)c3ccccc3)s2)no1.
What is the InChIKey of 5-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide?
The InChIKey is YCAREBKGMBUKGB-MAUKXSAKSA-N. The full InChI is InChI=1S/C19H18F2N2O3S2/c1-18(12-6-4-3-5-7-12)11-15(18)23-28(24,25)17-9-8-14(27-17)13-10-16(26-22-13)19(2,20)21/h3-10,15,23H,11H2,1-2H3/t15-,18+/m0/s1.
What are the key properties of 5-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide?
5-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide has a molecular weight of 424.49 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-N-[(1S,2R)-2-methyl-2-phenylcyclopropyl]thiophene-2-sulfonamide is sourced from PubChem (CID 67525302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).