N'-cyclohexyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide

C19H23N3O4S2 — CID 9152883

IUPACN'-cyclohexyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
SMILESO=C(NC[C@@H](c1cccnc1)S(=O)(=O)c1cccs1)C(=O)NC1CCCCC1
InChIInChI=1S/C19H23N3O4S2/c23-18(19(24)22-15-7-2-1-3-8-15)21-13-16(14-6-4-10-20-12-14)28(25,26)17-9-5-11-27-17/h4-6,9-12,15-16H,1-3,7-8,13H2,(H,21,23)(H,22,24)/t16-/m0/s1
InChIKeyJMLAQNLXHRQPJD-INIZCTEOSA-N
MW421.54 g/mol
LogP2.22
Rot. Bonds6

About N'-cyclohexyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide

N'-cyclohexyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide (PubChem CID 9152883) has the molecular formula C19H23N3O4S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is N'-cyclohexyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
PubChem CID9152883
Molecular FormulaC19H23N3O4S2
Molecular Weight421.54 g/mol
Exact Mass421.11
IUPAC NameN'-cyclohexyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
SMILESO=C(NC[C@@H](c1cccnc1)S(=O)(=O)c1cccs1)C(=O)NC1CCCCC1
InChIInChI=1S/C19H23N3O4S2/c23-18(19(24)22-15-7-2-1-3-8-15)21-13-16(14-6-4-10-20-12-14)28(25,26)17-9-5-11-27-17/h4-6,9-12,15-16H,1-3,7-8,13H2,(H,21,23)(H,22,24)/t16-/m0/s1
InChIKeyJMLAQNLXHRQPJD-INIZCTEOSA-N
XLogP2.22
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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]-N'-cyclopentyloxamide
CID 9154296
N-(2-methylpropyl)-N'-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9152743
N'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 7268303
N'-cyclohexyl-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584643
N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9151748
2-methyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]propanamide
CID 9151804
N'-cyclopropyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9181764
N'-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9182679
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]pyridine-3-carboxamide
CID 9152316
2-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9151928
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
CID 9151991

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide?
The IUPAC name of N'-cyclohexyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide (CID 9152883) is N'-cyclohexyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide.
What is the SMILES notation for N'-cyclohexyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide?
The canonical SMILES for N'-cyclohexyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide is O=C(NC[C@@H](c1cccnc1)S(=O)(=O)c1cccs1)C(=O)NC1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide?
The InChIKey is JMLAQNLXHRQPJD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O4S2/c23-18(19(24)22-15-7-2-1-3-8-15)21-13-16(14-6-4-10-20-12-14)28(25,26)17-9-5-11-27-17/h4-6,9-12,15-16H,1-3,7-8,13H2,(H,21,23)(H,22,24)/t16-/m0/s1.
What are the key properties of N'-cyclohexyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide?
N'-cyclohexyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide has a molecular weight of 421.54 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide is sourced from PubChem (CID 9152883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).