(2S)-N-[[3-(furan-2-yl)-1-methylpyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide

C15H22N4O4S — CID 118741384

IUPAC(2S)-N-[[3-(furan-2-yl)-1-methylpyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide
SMILESCC(C)[C@H](NS(C)(=O)=O)C(=O)NCc1cc(-c2ccco2)nn1C
InChIInChI=1S/C15H22N4O4S/c1-10(2)14(18-24(4,21)22)15(20)16-9-11-8-12(17-19(11)3)13-6-5-7-23-13/h5-8,10,14,18H,9H2,1-4H3,(H,16,20)/t14-/m0/s1
InChIKeyLVDVLOADPRDPOF-AWEZNQCLSA-N
MW354.43 g/mol
LogP0.87
Rot. Bonds7

About (2S)-N-[[3-(furan-2-yl)-1-methylpyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide

(2S)-N-[[3-(furan-2-yl)-1-methylpyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide (PubChem CID 118741384) has the molecular formula C15H22N4O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is (2S)-N-[[3-(furan-2-yl)-1-methylpyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-[[3-(furan-2-yl)-1-methylpyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide
PubChem CID118741384
Molecular FormulaC15H22N4O4S
Molecular Weight354.43 g/mol
Exact Mass354.14
IUPAC Name(2S)-N-[[3-(furan-2-yl)-1-methylpyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide
SMILESCC(C)[C@H](NS(C)(=O)=O)C(=O)NCc1cc(-c2ccco2)nn1C
InChIInChI=1S/C15H22N4O4S/c1-10(2)14(18-24(4,21)22)15(20)16-9-11-8-12(17-19(11)3)13-6-5-7-23-13/h5-8,10,14,18H,9H2,1-4H3,(H,16,20)/t14-/m0/s1
InChIKeyLVDVLOADPRDPOF-AWEZNQCLSA-N
XLogP0.87
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2538696
2-[5-(2-furyl)-3-methyl-1H-pyrazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 5308195
N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 6620408
N-(furan-2-ylmethyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 5307236
N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 5307834
N-[2-(dimethylamino)ethyl]-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 5308038
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 24677266
1-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(2-(4-fluorophenoxy)ethyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 44089467
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 53538261
3-(4-fluorophenyl)-N-(2-(furan-2-yl)-2-morpholinoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 71796442
2-(4-fluorophenyl)-N-((5-(furan-2-yl)-1-methyl-1H-pyrazol-3-yl)methyl)acetamide
CID 71797296
2-(2-fluorophenoxy)-N-((5-(furan-2-yl)-1-methyl-1H-pyrazol-3-yl)methyl)acetamide
CID 71797304

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[3-(furan-2-yl)-1-methylpyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide?
The IUPAC name of (2S)-N-[[3-(furan-2-yl)-1-methylpyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide (CID 118741384) is (2S)-N-[[3-(furan-2-yl)-1-methylpyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide.
What is the SMILES notation for (2S)-N-[[3-(furan-2-yl)-1-methylpyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide?
The canonical SMILES for (2S)-N-[[3-(furan-2-yl)-1-methylpyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide is CC(C)[C@H](NS(C)(=O)=O)C(=O)NCc1cc(-c2ccco2)nn1C.
What is the InChIKey of (2S)-N-[[3-(furan-2-yl)-1-methylpyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide?
The InChIKey is LVDVLOADPRDPOF-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N4O4S/c1-10(2)14(18-24(4,21)22)15(20)16-9-11-8-12(17-19(11)3)13-6-5-7-23-13/h5-8,10,14,18H,9H2,1-4H3,(H,16,20)/t14-/m0/s1.
What are the key properties of (2S)-N-[[3-(furan-2-yl)-1-methylpyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide?
(2S)-N-[[3-(furan-2-yl)-1-methylpyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide has a molecular weight of 354.43 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[3-(furan-2-yl)-1-methylpyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide is sourced from PubChem (CID 118741384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).