(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide

C18H25N3O4S — CID 51925027

IUPAC(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide
SMILESCC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1c(C)noc1C)c1ccccc1
InChIInChI=1S/C18H25N3O4S/c1-5-15(16-9-7-6-8-10-16)11-19-18(22)13(3)21-26(23,24)17-12(2)20-25-14(17)4/h6-10,13,15,21H,5,11H2,1-4H3,(H,19,22)/t13-,15-/m1/s1
InChIKeyQTLZJBDHSAXIKH-UKRRQHHQSA-N
MW379.48 g/mol
LogP2.27
Rot. Bonds8

About (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide

(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide (PubChem CID 51925027) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide
PubChem CID51925027
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide
SMILESCC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1c(C)noc1C)c1ccccc1
InChIInChI=1S/C18H25N3O4S/c1-5-15(16-9-7-6-8-10-16)11-19-18(22)13(3)21-26(23,24)17-12(2)20-25-14(17)4/h6-10,13,15,21H,5,11H2,1-4H3,(H,19,22)/t13-,15-/m1/s1
InChIKeyQTLZJBDHSAXIKH-UKRRQHHQSA-N
XLogP2.27
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]-2-phenylacetic acid
CID 119372302
(2S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 55936107
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(methylamino)ethyl]propanamide
CID 119501278
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-phenylacetamide
CID 75459963
2-[2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]ethylsulfanyl]acetic acid
CID 119241417
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide
CID 55941738
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-phenylbutyl)propanamide
CID 24513086
(2R)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]propanoic acid
CID 119243729
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)propanamide
CID 110408001
3,5-dimethyl-N-(3-methyl-1-phenylbutyl)-1,2-oxazole-4-sulfonamide
CID 71902435
(2S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 55937481
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]propanamide
CID 55941778

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide?
The IUPAC name of (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide (CID 51925027) is (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide.
What is the SMILES notation for (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide?
The canonical SMILES for (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide is CC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1c(C)noc1C)c1ccccc1.
What is the InChIKey of (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide?
The InChIKey is QTLZJBDHSAXIKH-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-5-15(16-9-7-6-8-10-16)11-19-18(22)13(3)21-26(23,24)17-12(2)20-25-14(17)4/h6-10,13,15,21H,5,11H2,1-4H3,(H,19,22)/t13-,15-/m1/s1.
What are the key properties of (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide?
(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide has a molecular weight of 379.48 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide is sourced from PubChem (CID 51925027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).