2-cyclopentylsulfonyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]acetamide

C16H25N3O4S — CID 126826590

IUPAC2-cyclopentylsulfonyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]acetamide
SMILESO=C(CS(=O)(=O)C1CCCC1)NC[C@@H]1CCCO[C@H]1c1cn[nH]c1
InChIInChI=1S/C16H25N3O4S/c20-15(11-24(21,22)14-5-1-2-6-14)17-8-12-4-3-7-23-16(12)13-9-18-19-10-13/h9-10,12,14,16H,1-8,11H2,(H,17,20)(H,18,19)/t12-,16+/m0/s1
InChIKeyOZKOQMVJKKLPOV-BLLLJJGKSA-N
MW355.46 g/mol
LogP1.35
Rot. Bonds6

About 2-cyclopentylsulfonyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]acetamide

2-cyclopentylsulfonyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]acetamide (PubChem CID 126826590) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]acetamide
PubChem CID126826590
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name2-cyclopentylsulfonyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]acetamide
SMILESO=C(CS(=O)(=O)C1CCCC1)NC[C@@H]1CCCO[C@H]1c1cn[nH]c1
InChIInChI=1S/C16H25N3O4S/c20-15(11-24(21,22)14-5-1-2-6-14)17-8-12-4-3-7-23-16(12)13-9-18-19-10-13/h9-10,12,14,16H,1-8,11H2,(H,17,20)(H,18,19)/t12-,16+/m0/s1
InChIKeyOZKOQMVJKKLPOV-BLLLJJGKSA-N
XLogP1.35
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclopentylsulfonyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]acetamide with MolForge

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Related Compounds

1-cyclobutyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyrazole-4-carboxamide
CID 136586699
4-chloro-1,5-dimethyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyrazole-3-carboxamide
CID 167760808
3-methoxy-4-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]benzamide
CID 154794885
8-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]indolizine-2-carboxamide
CID 138024151
N-[(3,4-dimethylphenyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methanamine
CID 154761600
N-[(3,4-dimethoxyphenyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methanamine
CID 154761599
4,5-dimethyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 154762252
2-ethyl-1-methyl-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrrole-3-carboxamide
CID 167843966
2-cyclopentylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120943963
3-fluoro-4-methoxy-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]benzamide
CID 154798360
N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methanamine
CID 167980698
3-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyridine-4-carboxamide
CID 154799222

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]acetamide?
The IUPAC name of 2-cyclopentylsulfonyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]acetamide (CID 126826590) is 2-cyclopentylsulfonyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfonyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfonyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]acetamide is O=C(CS(=O)(=O)C1CCCC1)NC[C@@H]1CCCO[C@H]1c1cn[nH]c1.
What is the InChIKey of 2-cyclopentylsulfonyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]acetamide?
The InChIKey is OZKOQMVJKKLPOV-BLLLJJGKSA-N. The full InChI is InChI=1S/C16H25N3O4S/c20-15(11-24(21,22)14-5-1-2-6-14)17-8-12-4-3-7-23-16(12)13-9-18-19-10-13/h9-10,12,14,16H,1-8,11H2,(H,17,20)(H,18,19)/t12-,16+/m0/s1.
What are the key properties of 2-cyclopentylsulfonyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]acetamide?
2-cyclopentylsulfonyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]acetamide has a molecular weight of 355.46 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]acetamide is sourced from PubChem (CID 126826590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).