(2S)-2-cyclopentyloxy-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]butanamide

C14H22N2O5S — CID 99130170

IUPAC(2S)-2-cyclopentyloxy-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]butanamide
SMILESCC[C@H](OC1CCCC1)C(=O)NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C14H22N2O5S/c1-4-12(20-11-7-5-6-8-11)14(17)16-22(18,19)13-9(2)15-21-10(13)3/h11-12H,4-8H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyMVPHXSRYYYAJEK-LBPRGKRZSA-N
MW330.41 g/mol
LogP1.83
Rot. Bonds6

About (2S)-2-cyclopentyloxy-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]butanamide

(2S)-2-cyclopentyloxy-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]butanamide (PubChem CID 99130170) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is (2S)-2-cyclopentyloxy-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]butanamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyloxy-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]butanamide
PubChem CID99130170
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name(2S)-2-cyclopentyloxy-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]butanamide
SMILESCC[C@H](OC1CCCC1)C(=O)NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C14H22N2O5S/c1-4-12(20-11-7-5-6-8-11)14(17)16-22(18,19)13-9(2)15-21-10(13)3/h11-12H,4-8H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyMVPHXSRYYYAJEK-LBPRGKRZSA-N
XLogP1.83
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyloxy-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]butanamide?
The IUPAC name of (2S)-2-cyclopentyloxy-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]butanamide (CID 99130170) is (2S)-2-cyclopentyloxy-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]butanamide.
What is the SMILES notation for (2S)-2-cyclopentyloxy-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]butanamide?
The canonical SMILES for (2S)-2-cyclopentyloxy-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]butanamide is CC[C@H](OC1CCCC1)C(=O)NS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of (2S)-2-cyclopentyloxy-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]butanamide?
The InChIKey is MVPHXSRYYYAJEK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-4-12(20-11-7-5-6-8-11)14(17)16-22(18,19)13-9(2)15-21-10(13)3/h11-12H,4-8H2,1-3H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-2-cyclopentyloxy-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]butanamide?
(2S)-2-cyclopentyloxy-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]butanamide has a molecular weight of 330.41 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyloxy-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]butanamide is sourced from PubChem (CID 99130170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).