N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(prop-2-enylsulfamoyl)benzamide

C26H24N4O3S — CID 24548793

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C26H24N4O3S/c1-2-16-28-34(32,33)24-15-9-12-21(17-24)26(31)27-18-22-19-30(23-13-7-4-8-14-23)29-25(22)20-10-5-3-6-11-20/h2-15,17,19,28H,1,16,18H2,(H,27,31)
InChIKeyIWHFWDOLQVXFSK-UHFFFAOYSA-N
MW472.57 g/mol
LogP3.93
Rot. Bonds9

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(prop-2-enylsulfamoyl)benzamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 24548793) has the molecular formula C26H24N4O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID24548793
Molecular FormulaC26H24N4O3S
Molecular Weight472.57 g/mol
Exact Mass472.16
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C26H24N4O3S/c1-2-16-28-34(32,33)24-15-9-12-21(17-24)26(31)27-18-22-19-30(23-13-7-4-8-14-23)29-25(22)20-10-5-3-6-11-20/h2-15,17,19,28H,1,16,18H2,(H,27,31)
InChIKeyIWHFWDOLQVXFSK-UHFFFAOYSA-N
XLogP3.93
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzamide
CID 24548704
3-(1,3-dioxoisoindol-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19288807
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-prop-2-enylthiourea
CID 19588911
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 27864271
3-fluoro-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]benzamide
CID 24551889
3-[(3,4-difluorophenyl)sulfonylamino]-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide
CID 24548796
(Z)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2,3-diphenylprop-2-enamide
CID 19288782
N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 46541925
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide
CID 19281007
N-(3-phenylsulfanylpropyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 38570641
N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 31263349

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(prop-2-enylsulfamoyl)benzamide (CID 24548793) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is IWHFWDOLQVXFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S/c1-2-16-28-34(32,33)24-15-9-12-21(17-24)26(31)27-18-22-19-30(23-13-7-4-8-14-23)29-25(22)20-10-5-3-6-11-20/h2-15,17,19,28H,1,16,18H2,(H,27,31).
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(prop-2-enylsulfamoyl)benzamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 472.57 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 24548793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).