(2R)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide

C15H16ClF2N3O5S — CID 39995903

IUPAC(2R)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C15H16ClF2N3O5S/c1-7-13(9(3)26-20-7)27(23,24)21-8(2)14(22)19-10-4-5-12(11(16)6-10)25-15(17)18/h4-6,8,15,21H,1-3H3,(H,19,22)/t8-/m1/s1
InChIKeyNYJITVPKNOFHPP-MRVPVSSYSA-N
MW423.83 g/mol
LogP2.85
Rot. Bonds7

About (2R)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide

(2R)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide (PubChem CID 39995903) has the molecular formula C15H16ClF2N3O5S and a molecular weight of 423.83 g/mol. Its IUPAC name is (2R)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
PubChem CID39995903
Molecular FormulaC15H16ClF2N3O5S
Molecular Weight423.83 g/mol
Exact Mass423.05
IUPAC Name(2R)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C15H16ClF2N3O5S/c1-7-13(9(3)26-20-7)27(23,24)21-8(2)14(22)19-10-4-5-12(11(16)6-10)25-15(17)18/h4-6,8,15,21H,1-3H3,(H,19,22)/t8-/m1/s1
InChIKeyNYJITVPKNOFHPP-MRVPVSSYSA-N
XLogP2.85
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.83
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-ethoxy-3-methoxyphenyl)propanamide
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2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)propanamide
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CID 8870743
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide
CID 124551909
N-[(2S)-1-[3-chloro-4-(difluoromethoxy)anilino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 24576002
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide?
The IUPAC name of (2R)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide (CID 39995903) is (2R)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide.
What is the SMILES notation for (2R)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide?
The canonical SMILES for (2R)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide is Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of (2R)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide?
The InChIKey is NYJITVPKNOFHPP-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H16ClF2N3O5S/c1-7-13(9(3)26-20-7)27(23,24)21-8(2)14(22)19-10-4-5-12(11(16)6-10)25-15(17)18/h4-6,8,15,21H,1-3H3,(H,19,22)/t8-/m1/s1.
What are the key properties of (2R)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide?
(2R)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide has a molecular weight of 423.83 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide is sourced from PubChem (CID 39995903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).