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

C14H20N4O4S — CID 118741349

IUPAC(2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide
SMILESCC(C)[C@H](NS(C)(=O)=O)C(=O)NCc1cc(-c2ccco2)n[nH]1
InChIInChI=1S/C14H20N4O4S/c1-9(2)13(18-23(3,20)21)14(19)15-8-10-7-11(17-16-10)12-5-4-6-22-12/h4-7,9,13,18H,8H2,1-3H3,(H,15,19)(H,16,17)/t13-/m0/s1
InChIKeySRHWFDWJDWJQPT-ZDUSSCGKSA-N
MW340.41 g/mol
LogP0.86
Rot. Bonds7

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

(2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide (PubChem CID 118741349) has the molecular formula C14H20N4O4S and a molecular weight of 340.41 g/mol. Its IUPAC name is (2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide
PubChem CID118741349
Molecular FormulaC14H20N4O4S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC Name(2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide
SMILESCC(C)[C@H](NS(C)(=O)=O)C(=O)NCc1cc(-c2ccco2)n[nH]1
InChIInChI=1S/C14H20N4O4S/c1-9(2)13(18-23(3,20)21)14(19)15-8-10-7-11(17-16-10)12-5-4-6-22-12/h4-7,9,13,18H,8H2,1-3H3,(H,15,19)(H,16,17)/t13-/m0/s1
InChIKeySRHWFDWJDWJQPT-ZDUSSCGKSA-N
XLogP0.86
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide?
The IUPAC name of (2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide (CID 118741349) is (2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide.
What is the SMILES notation for (2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide?
The canonical SMILES for (2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide is CC(C)[C@H](NS(C)(=O)=O)C(=O)NCc1cc(-c2ccco2)n[nH]1.
What is the InChIKey of (2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide?
The InChIKey is SRHWFDWJDWJQPT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N4O4S/c1-9(2)13(18-23(3,20)21)14(19)15-8-10-7-11(17-16-10)12-5-4-6-22-12/h4-7,9,13,18H,8H2,1-3H3,(H,15,19)(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide?
(2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide has a molecular weight of 340.41 g/mol, XLogP of 0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-(methanesulfonamido)-3-methylbutanamide is sourced from PubChem (CID 118741349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).