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

C20H23N3O4S — CID 9154296

IUPACN-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclopentyloxamide
SMILESO=C(NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C20H23N3O4S/c24-19(20(25)23-16-8-4-5-9-16)22-14-18(15-7-6-12-21-13-15)28(26,27)17-10-2-1-3-11-17/h1-3,6-7,10-13,16,18H,4-5,8-9,14H2,(H,22,24)(H,23,25)/t18-/m1/s1
InChIKeyFJCWSGNYWLUKFO-GOSISDBHSA-N
MW401.49 g/mol
LogP1.77
Rot. Bonds6

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

N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclopentyloxamide (PubChem CID 9154296) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclopentyloxamide.

Molecular Properties

Compound NameN-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclopentyloxamide
PubChem CID9154296
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclopentyloxamide
SMILESO=C(NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C20H23N3O4S/c24-19(20(25)23-16-8-4-5-9-16)22-14-18(15-7-6-12-21-13-15)28(26,27)17-10-2-1-3-11-17/h1-3,6-7,10-13,16,18H,4-5,8-9,14H2,(H,22,24)(H,23,25)/t18-/m1/s1
InChIKeyFJCWSGNYWLUKFO-GOSISDBHSA-N
XLogP1.77
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.77
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'-cyclohexyloxamide
CID 9154333
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
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]benzamide
CID 9153361
1-cyclohexyl-3-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]urea
CID 21007706
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
2-[[2-[[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium
CID 9154417
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-[(2S)-butan-2-yl]oxamide
CID 9154240
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]piperidine-1-carboxamide
CID 9154047
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'-cyclopentyloxamide?
The IUPAC name of N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclopentyloxamide (CID 9154296) is N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclopentyloxamide.
What is the SMILES notation for N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclopentyloxamide?
The canonical SMILES for N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclopentyloxamide is O=C(NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1)C(=O)NC1CCCC1.
What is the InChIKey of N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclopentyloxamide?
The InChIKey is FJCWSGNYWLUKFO-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N3O4S/c24-19(20(25)23-16-8-4-5-9-16)22-14-18(15-7-6-12-21-13-15)28(26,27)17-10-2-1-3-11-17/h1-3,6-7,10-13,16,18H,4-5,8-9,14H2,(H,22,24)(H,23,25)/t18-/m1/s1.
What are the key properties of N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclopentyloxamide?
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-cyclopentyloxamide has a molecular weight of 401.49 g/mol, XLogP of 1.77, 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'-cyclopentyloxamide is sourced from PubChem (CID 9154296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).