N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclohexyloxamide

C21H25N3O4S — CID 9154333

IUPACN-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclohexyloxamide
SMILESO=C(NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1)C(=O)NC1CCCCC1
InChIInChI=1S/C21H25N3O4S/c25-20(21(26)24-17-9-3-1-4-10-17)23-15-19(16-8-7-13-22-14-16)29(27,28)18-11-5-2-6-12-18/h2,5-8,11-14,17,19H,1,3-4,9-10,15H2,(H,23,25)(H,24,26)/t19-/m1/s1
InChIKeyKHWXJFZZJINYHQ-LJQANCHMSA-N
MW415.52 g/mol
LogP2.16
Rot. Bonds6

About N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclohexyloxamide

N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclohexyloxamide (PubChem CID 9154333) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclohexyloxamide.

Molecular Properties

Compound NameN-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclohexyloxamide
PubChem CID9154333
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclohexyloxamide
SMILESO=C(NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1)C(=O)NC1CCCCC1
InChIInChI=1S/C21H25N3O4S/c25-20(21(26)24-17-9-3-1-4-10-17)23-15-19(16-8-7-13-22-14-16)29(27,28)18-11-5-2-6-12-18/h2,5-8,11-14,17,19H,1,3-4,9-10,15H2,(H,23,25)(H,24,26)/t19-/m1/s1
InChIKeyKHWXJFZZJINYHQ-LJQANCHMSA-N
XLogP2.16
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclopentyloxamide
CID 9154296
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]cyclohexanecarboxamide
CID 9153281
N'-cyclohexyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9152883
1-cyclohexyl-3-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]urea
CID 21007706
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]piperidine-1-carboxamide
CID 9154047
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]benzamide
CID 9153361
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9153191
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide
CID 9153775
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-[(2S)-butan-2-yl]oxamide
CID 9154240
2-[[2-[[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium
CID 9154417
2-[[2-[[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium
CID 9154426
N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-N'-cyclopropyloxamide
CID 9159516

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclohexyloxamide?
The IUPAC name of N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclohexyloxamide (CID 9154333) is N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclohexyloxamide.
What is the SMILES notation for N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclohexyloxamide?
The canonical SMILES for N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclohexyloxamide is O=C(NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1)C(=O)NC1CCCCC1.
What is the InChIKey of N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclohexyloxamide?
The InChIKey is KHWXJFZZJINYHQ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25N3O4S/c25-20(21(26)24-17-9-3-1-4-10-17)23-15-19(16-8-7-13-22-14-16)29(27,28)18-11-5-2-6-12-18/h2,5-8,11-14,17,19H,1,3-4,9-10,15H2,(H,23,25)(H,24,26)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclohexyloxamide?
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclohexyloxamide has a molecular weight of 415.52 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclohexyloxamide is sourced from PubChem (CID 9154333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).