(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

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

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Related Compounds

N-(3-cyclopentyloxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 48945511
N-(2-amino-1-cyclopentylethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 106737884
(2S,3S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-3-methylpentanamide
CID 97311830
3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide
CID 64994317
N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 55172754
2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]cyclopropane-1-carboxamide
CID 78895747
ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylate
CID 47071939
2-(2-cyclohexyloxybutanoylamino)acetic acid
CID 119350338
N-(1-methoxybutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5005523
N-(3-ethyl-2-hydroxypentyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 103835124
3,5-dimethyl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,2-oxazole-4-sulfonamide
CID 51946575
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-propan-2-ylpropanamide
CID 53118745

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).