3-(cyclopropylsulfamoyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide

C22H23N5O4S — CID 55953779

IUPAC3-(cyclopropylsulfamoyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
SMILESO=C(Cn1cccn1)Nc1cccc(CNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1
InChIInChI=1S/C22H23N5O4S/c28-21(15-27-11-3-10-24-27)25-19-6-1-4-16(12-19)14-23-22(29)17-5-2-7-20(13-17)32(30,31)26-18-8-9-18/h1-7,10-13,18,26H,8-9,14-15H2,(H,23,29)(H,25,28)
InChIKeyURLVVPMZQOBIEK-UHFFFAOYSA-N
MW453.52 g/mol
LogP1.89
Rot. Bonds9

About 3-(cyclopropylsulfamoyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide

3-(cyclopropylsulfamoyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide (PubChem CID 55953779) has the molecular formula C22H23N5O4S and a molecular weight of 453.52 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
PubChem CID55953779
Molecular FormulaC22H23N5O4S
Molecular Weight453.52 g/mol
Exact Mass453.15
IUPAC Name3-(cyclopropylsulfamoyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
SMILESO=C(Cn1cccn1)Nc1cccc(CNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1
InChIInChI=1S/C22H23N5O4S/c28-21(15-27-11-3-10-24-27)25-19-6-1-4-16(12-19)14-23-22(29)17-5-2-7-20(13-17)32(30,31)26-18-8-9-18/h1-7,10-13,18,26H,8-9,14-15H2,(H,23,29)(H,25,28)
InChIKeyURLVVPMZQOBIEK-UHFFFAOYSA-N
XLogP1.89
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-3-methylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55978865
3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide
CID 55894287
3-(2-methylpropoxy)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55977960
3-(cyclohexylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109063365
N-cyclopropyl-4-[(E)-3-oxo-3-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methylamino]prop-1-enyl]benzamide
CID 55978347
2-(4-piperidin-1-ylsulfonylphenyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]acetamide
CID 55978727
N-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide
CID 39821970
2-chloro-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]cyclohexene-1-carboxamide
CID 71886224
1-propylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55978346
3,3-diphenyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide
CID 52719151
3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 109064880
N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]azocane-1-carboxamide
CID 87037167

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide (CID 55953779) is 3-(cyclopropylsulfamoyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide is O=C(Cn1cccn1)Nc1cccc(CNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide?
The InChIKey is URLVVPMZQOBIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4S/c28-21(15-27-11-3-10-24-27)25-19-6-1-4-16(12-19)14-23-22(29)17-5-2-7-20(13-17)32(30,31)26-18-8-9-18/h1-7,10-13,18,26H,8-9,14-15H2,(H,23,29)(H,25,28).
What are the key properties of 3-(cyclopropylsulfamoyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide?
3-(cyclopropylsulfamoyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide has a molecular weight of 453.52 g/mol, XLogP of 1.89, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide is sourced from PubChem (CID 55953779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).