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

C18H23N3O4S — CID 35805706

IUPAC(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C18H23N3O4S/c1-11-17(13(3)25-20-11)26(23,24)21-12(2)18(22)19-16-10-6-8-14-7-4-5-9-15(14)16/h4-5,7,9,12,16,21H,6,8,10H2,1-3H3,(H,19,22)/t12-,16+/m0/s1
InChIKeyIYKCSZCISTVYSA-BLLLJJGKSA-N
MW377.47 g/mol
LogP2.15
Rot. Bonds5

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

(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 35805706) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID35805706
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C18H23N3O4S/c1-11-17(13(3)25-20-11)26(23,24)21-12(2)18(22)19-16-10-6-8-14-7-4-5-9-15(14)16/h4-5,7,9,12,16,21H,6,8,10H2,1-3H3,(H,19,22)/t12-,16+/m0/s1
InChIKeyIYKCSZCISTVYSA-BLLLJJGKSA-N
XLogP2.15
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 41139395
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 7092142
3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2-oxazole-4-sulfonamide
CID 42949928
cis-(1S,3R)-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]cyclopentane-1-carboxylic acid
CID 120676458
(2S)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]-2-phenylacetic acid
CID 119372302
(2S)-N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 37293945
2-(4-acetamidoanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 42911776
(2S)-2-propan-2-ylsulfonyl-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]propanamide
CID 94809577
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 95064437
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide
CID 55941738
2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 79196084
N-[(2S)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]furan-2-carboxamide
CID 42987280

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 35805706) is (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is IYKCSZCISTVYSA-BLLLJJGKSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-11-17(13(3)25-20-11)26(23,24)21-12(2)18(22)19-16-10-6-8-14-7-4-5-9-15(14)16/h4-5,7,9,12,16,21H,6,8,10H2,1-3H3,(H,19,22)/t12-,16+/m0/s1.
What are the key properties of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 377.47 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 35805706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).