N-[(1-methylpyrazol-3-yl)methyl]-3-(propan-2-ylsulfonylamino)benzamide

C15H20N4O3S — CID 166264888

IUPACN-[(1-methylpyrazol-3-yl)methyl]-3-(propan-2-ylsulfonylamino)benzamide
SMILESCC(C)S(=O)(=O)Nc1cccc(C(=O)NCc2ccn(C)n2)c1
InChIInChI=1S/C15H20N4O3S/c1-11(2)23(21,22)18-13-6-4-5-12(9-13)15(20)16-10-14-7-8-19(3)17-14/h4-9,11,18H,10H2,1-3H3,(H,16,20)
InChIKeyJTPYOBUXONPAPW-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.50
Rot. Bonds6

About N-[(1-methylpyrazol-3-yl)methyl]-3-(propan-2-ylsulfonylamino)benzamide

N-[(1-methylpyrazol-3-yl)methyl]-3-(propan-2-ylsulfonylamino)benzamide (PubChem CID 166264888) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)methyl]-3-(propan-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)methyl]-3-(propan-2-ylsulfonylamino)benzamide
PubChem CID166264888
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-[(1-methylpyrazol-3-yl)methyl]-3-(propan-2-ylsulfonylamino)benzamide
SMILESCC(C)S(=O)(=O)Nc1cccc(C(=O)NCc2ccn(C)n2)c1
InChIInChI=1S/C15H20N4O3S/c1-11(2)23(21,22)18-13-6-4-5-12(9-13)15(20)16-10-14-7-8-19(3)17-14/h4-9,11,18H,10H2,1-3H3,(H,16,20)
InChIKeyJTPYOBUXONPAPW-UHFFFAOYSA-N
XLogP1.50
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330923
3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330914
3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 103908537
3-[(4-bromopyrazol-1-yl)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330938
2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
CID 82882213
3-amino-4-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882800
3-(methanesulfonamido)-N-(1-methylpyrazol-3-yl)benzamide
CID 37242332
3-[(2-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329189
3-[(3-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329169
3-bromo-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113460821
3-[(2,4-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330904
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19329164

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-3-(propan-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-3-(propan-2-ylsulfonylamino)benzamide (CID 166264888) is N-[(1-methylpyrazol-3-yl)methyl]-3-(propan-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)methyl]-3-(propan-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)methyl]-3-(propan-2-ylsulfonylamino)benzamide is CC(C)S(=O)(=O)Nc1cccc(C(=O)NCc2ccn(C)n2)c1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)methyl]-3-(propan-2-ylsulfonylamino)benzamide?
The InChIKey is JTPYOBUXONPAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-11(2)23(21,22)18-13-6-4-5-12(9-13)15(20)16-10-14-7-8-19(3)17-14/h4-9,11,18H,10H2,1-3H3,(H,16,20).
What are the key properties of N-[(1-methylpyrazol-3-yl)methyl]-3-(propan-2-ylsulfonylamino)benzamide?
N-[(1-methylpyrazol-3-yl)methyl]-3-(propan-2-ylsulfonylamino)benzamide has a molecular weight of 336.42 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)methyl]-3-(propan-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 166264888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).