(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]oxolane-3-carboxamide

C19H26N4O4S — CID 129325296

IUPAC(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]oxolane-3-carboxamide
SMILESCC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C19H26N4O4S/c1-12(2)23-17(7-9-21-23)18-16(8-10-27-18)19(24)22-13(3)14-5-4-6-15(11-14)28(20,25)26/h4-7,9,11-13,16,18H,8,10H2,1-3H3,(H,22,24)(H2,20,25,26)/t13-,16-,18-/m0/s1
InChIKeyXYTMCHYWDBISRC-OWQGQXMQSA-N
MW406.51 g/mol
LogP2.07
Rot. Bonds6

About (2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]oxolane-3-carboxamide

(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]oxolane-3-carboxamide (PubChem CID 129325296) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is (2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]oxolane-3-carboxamide
PubChem CID129325296
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]oxolane-3-carboxamide
SMILESCC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C19H26N4O4S/c1-12(2)23-17(7-9-21-23)18-16(8-10-27-18)19(24)22-13(3)14-5-4-6-15(11-14)28(20,25)26/h4-7,9,11-13,16,18H,8,10H2,1-3H3,(H,22,24)(H2,20,25,26)/t13-,16-,18-/m0/s1
InChIKeyXYTMCHYWDBISRC-OWQGQXMQSA-N
XLogP2.07
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-sulfamoylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79593537
(2S,3S)-N-[3-(tert-butylcarbamoyl)phenyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide
CID 128972997
2,2-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 103839225
3-[[(2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]carbamoyl]benzenesulfonyl fluoride
CID 138029628
cis-(1R,2S)-2-(2-fluorophenyl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 97021078
(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxane-3-carboxylic acid
CID 124710177
(2S,3S)-N-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide
CID 128982480
N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 51213435
(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxolane-3-carboxamide
CID 128970506
2-(4-methylphenyl)sulfanyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51213545
1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 112729478
(2S,3R)-2-ethyl-N-[1-[3-(methanesulfonamido)phenyl]ethyl]oxolane-3-carboxamide
CID 138027732

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]oxolane-3-carboxamide (CID 129325296) is (2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]oxolane-3-carboxamide is CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of (2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]oxolane-3-carboxamide?
The InChIKey is XYTMCHYWDBISRC-OWQGQXMQSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-12(2)23-17(7-9-21-23)18-16(8-10-27-18)19(24)22-13(3)14-5-4-6-15(11-14)28(20,25)26/h4-7,9,11-13,16,18H,8,10H2,1-3H3,(H,22,24)(H2,20,25,26)/t13-,16-,18-/m0/s1.
What are the key properties of (2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]oxolane-3-carboxamide?
(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]oxolane-3-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 129325296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).