N-(2-methylpropyl)-N'-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide

C17H21N3O4S2 — CID 9152743

IUPACN-(2-methylpropyl)-N'-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
SMILESCC(C)CNC(=O)C(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H21N3O4S2/c1-12(2)9-19-16(21)17(22)20-11-14(13-5-3-7-18-10-13)26(23,24)15-6-4-8-25-15/h3-8,10,12,14H,9,11H2,1-2H3,(H,19,21)(H,20,22)/t14-/m1/s1
InChIKeyRFKYJUWOJKZSJR-CQSZACIVSA-N
MW395.51 g/mol
LogP1.55
Rot. Bonds7

About N-(2-methylpropyl)-N'-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide

N-(2-methylpropyl)-N'-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide (PubChem CID 9152743) has the molecular formula C17H21N3O4S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-(2-methylpropyl)-N'-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N'-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
PubChem CID9152743
Molecular FormulaC17H21N3O4S2
Molecular Weight395.51 g/mol
Exact Mass395.10
IUPAC NameN-(2-methylpropyl)-N'-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
SMILESCC(C)CNC(=O)C(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H21N3O4S2/c1-12(2)9-19-16(21)17(22)20-11-14(13-5-3-7-18-10-13)26(23,24)15-6-4-8-25-15/h3-8,10,12,14H,9,11H2,1-2H3,(H,19,21)(H,20,22)/t14-/m1/s1
InChIKeyRFKYJUWOJKZSJR-CQSZACIVSA-N
XLogP1.55
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.55
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

2-methyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]propanamide
CID 9151804
N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9151748
N'-[(2S)-butan-2-yl]-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9152784
N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 21001981
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
CID 9151991
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]pyridine-3-carboxamide
CID 9152316
N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
CID 9151978
N'-cyclohexyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9152883
4-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9152261
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]ethanesulfonamide
CID 9151636
(E)-3-phenyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]prop-2-enamide
CID 9152454

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N'-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide?
The IUPAC name of N-(2-methylpropyl)-N'-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide (CID 9152743) is N-(2-methylpropyl)-N'-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide.
What is the SMILES notation for N-(2-methylpropyl)-N'-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide?
The canonical SMILES for N-(2-methylpropyl)-N'-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide is CC(C)CNC(=O)C(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-methylpropyl)-N'-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide?
The InChIKey is RFKYJUWOJKZSJR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O4S2/c1-12(2)9-19-16(21)17(22)20-11-14(13-5-3-7-18-10-13)26(23,24)15-6-4-8-25-15/h3-8,10,12,14H,9,11H2,1-2H3,(H,19,21)(H,20,22)/t14-/m1/s1.
What are the key properties of N-(2-methylpropyl)-N'-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide?
N-(2-methylpropyl)-N'-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide has a molecular weight of 395.51 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N'-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide is sourced from PubChem (CID 9152743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).