(2S)-N-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]propanamide

C14H22N2O4S — CID 94087763

IUPAC(2S)-N-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]propanamide
SMILESCc1noc(C)c1CS(=O)(=O)[C@@H](C)C(=O)NC1CCCC1
InChIInChI=1S/C14H22N2O4S/c1-9-13(10(2)20-16-9)8-21(18,19)11(3)14(17)15-12-6-4-5-7-12/h11-12H,4-8H2,1-3H3,(H,15,17)/t11-/m0/s1
InChIKeyNXLNRGSZDXALED-NSHDSACASA-N
MW314.41 g/mol
LogP1.65
Rot. Bonds5

About (2S)-N-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]propanamide

(2S)-N-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]propanamide (PubChem CID 94087763) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]propanamide
PubChem CID94087763
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name(2S)-N-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]propanamide
SMILESCc1noc(C)c1CS(=O)(=O)[C@@H](C)C(=O)NC1CCCC1
InChIInChI=1S/C14H22N2O4S/c1-9-13(10(2)20-16-9)8-21(18,19)11(3)14(17)15-12-6-4-5-7-12/h11-12H,4-8H2,1-3H3,(H,15,17)/t11-/m0/s1
InChIKeyNXLNRGSZDXALED-NSHDSACASA-N
XLogP1.65
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]propanoic acid
CID 82180799
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CID 94091601
N-cyclopentyl-2-[(2-methylphenyl)methylsulfonyl]propanamide
CID 42961400
2-benzylsulfonyl-N-cycloheptylpropanamide
CID 46589032
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]cyclopentanamine
CID 115722279
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7549693
(2R)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide
CID 98042032
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide
CID 75527495
2-but-2-enylsulfonyl-N-cyclohexylpropanamide
CID 72686246
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579
N-cyclopentyl-1-[(2S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]azetidine-3-sulfonamide
CID 97348611
N-cyclopentyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 9265218

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]propanamide (CID 94087763) is (2S)-N-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]propanamide is Cc1noc(C)c1CS(=O)(=O)[C@@H](C)C(=O)NC1CCCC1.
What is the InChIKey of (2S)-N-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]propanamide?
The InChIKey is NXLNRGSZDXALED-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-9-13(10(2)20-16-9)8-21(18,19)11(3)14(17)15-12-6-4-5-7-12/h11-12H,4-8H2,1-3H3,(H,15,17)/t11-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]propanamide?
(2S)-N-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]propanamide has a molecular weight of 314.41 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]propanamide is sourced from PubChem (CID 94087763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).