(2R)-2-[(4-tert-butylphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C18H24N2O4S — CID 39991942

IUPAC(2R)-2-[(4-tert-butylphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)S(=O)(=O)Cc2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C18H24N2O4S/c1-12-10-16(20-24-12)19-17(21)13(2)25(22,23)11-14-6-8-15(9-7-14)18(3,4)5/h6-10,13H,11H2,1-5H3,(H,19,20,21)/t13-/m1/s1
InChIKeyFNBMTYQHDYKKTP-CYBMUJFWSA-N
MW364.47 g/mol
LogP3.22
Rot. Bonds5

About (2R)-2-[(4-tert-butylphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2R)-2-[(4-tert-butylphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 39991942) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is (2R)-2-[(4-tert-butylphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-tert-butylphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID39991942
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name(2R)-2-[(4-tert-butylphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)S(=O)(=O)Cc2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C18H24N2O4S/c1-12-10-16(20-24-12)19-17(21)13(2)25(22,23)11-14-6-8-15(9-7-14)18(3,4)5/h6-10,13H,11H2,1-5H3,(H,19,20,21)/t13-/m1/s1
InChIKeyFNBMTYQHDYKKTP-CYBMUJFWSA-N
XLogP3.22
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(4-tert-butylphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(methylsulfonylmethyl)anilino]propanamide
CID 95264542
(2S)-2-[(4-fluorophenyl)methylsulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51711263
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 17454282
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370450
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoylmethyl]benzoic acid
CID 43362452
(2R)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9309041
(2S)-2-(4-ethylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40636839
(E)-3-(4-tert-butylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
CID 896549
2-[(4-fluorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 6487759
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pentanamide
CID 670809
(2S)-N-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide
CID 94091601
(2R)-2-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 94027303

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-tert-butylphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2R)-2-[(4-tert-butylphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 39991942) is (2R)-2-[(4-tert-butylphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-[(4-tert-butylphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-[(4-tert-butylphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)[C@@H](C)S(=O)(=O)Cc2ccc(C(C)(C)C)cc2)no1.
What is the InChIKey of (2R)-2-[(4-tert-butylphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is FNBMTYQHDYKKTP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-12-10-16(20-24-12)19-17(21)13(2)25(22,23)11-14-6-8-15(9-7-14)18(3,4)5/h6-10,13H,11H2,1-5H3,(H,19,20,21)/t13-/m1/s1.
What are the key properties of (2R)-2-[(4-tert-butylphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2R)-2-[(4-tert-butylphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 364.47 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-tert-butylphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 39991942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).