(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanamide

C14H17N3O4S — CID 112507138

IUPAC(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanamide
SMILESCc1cccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C14H17N3O4S/c1-9-5-4-6-12(7-9)22(19,20)17-11(3)14(18)15-13-8-10(2)21-16-13/h4-8,11,17H,1-3H3,(H,15,16,18)/t11-/m0/s1
InChIKeyLCVXAWCFQCYDCO-NSHDSACASA-N
MW323.37 g/mol
LogP1.60
Rot. Bonds5

About (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanamide

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanamide (PubChem CID 112507138) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanamide
PubChem CID112507138
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanamide
SMILESCc1cccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C14H17N3O4S/c1-9-5-4-6-12(7-9)22(19,20)17-11(3)14(18)15-13-8-10(2)21-16-13/h4-8,11,17H,1-3H3,(H,15,16,18)/t11-/m0/s1
InChIKeyLCVXAWCFQCYDCO-NSHDSACASA-N
XLogP1.60
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110304375
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 112507154
(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112507157
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(methylsulfamoyl)benzoate
CID 26012031
N-(5-methyl-1,2-oxazol-3-yl)-2-(propylsulfamoylamino)propanamide
CID 110624121
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]propanamide
CID 21004888
N'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide
CID 44996030
(2S)-2-[(4-fluorophenyl)methylsulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51711263
2-[(4-chlorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylpropanamide
CID 74170909
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylphenyl)propanamide
CID 5034274
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(propylsulfamoyl)benzoate
CID 18226146
(2S)-2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40939515

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanamide (CID 112507138) is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanamide is Cc1cccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(C)on2)c1.
What is the InChIKey of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanamide?
The InChIKey is LCVXAWCFQCYDCO-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-9-5-4-6-12(7-9)22(19,20)17-11(3)14(18)15-13-8-10(2)21-16-13/h4-8,11,17H,1-3H3,(H,15,16,18)/t11-/m0/s1.
What are the key properties of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanamide?
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanamide has a molecular weight of 323.37 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 112507138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).