3-pyridin-3-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide

C18H15N5O3S — CID 171152896

IUPAC3-pyridin-3-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1cccnc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C18H15N5O3S/c24-17(9-4-14-3-1-10-19-13-14)22-15-5-7-16(8-6-15)27(25,26)23-18-20-11-2-12-21-18/h1-13H,(H,22,24)(H,20,21,23)
InChIKeyTUFVKUQBTCIMKU-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.32
Rot. Bonds6

About 3-pyridin-3-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide

3-pyridin-3-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 171152896) has the molecular formula C18H15N5O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is 3-pyridin-3-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-pyridin-3-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
PubChem CID171152896
Molecular FormulaC18H15N5O3S
Molecular Weight381.42 g/mol
Exact Mass381.09
IUPAC Name3-pyridin-3-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1cccnc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C18H15N5O3S/c24-17(9-4-14-3-1-10-19-13-14)22-15-5-7-16(8-6-15)27(25,26)23-18-20-11-2-12-21-18/h1-13H,(H,22,24)(H,20,21,23)
InChIKeyTUFVKUQBTCIMKU-UHFFFAOYSA-N
XLogP2.32
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-ethoxyphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 70978968
(E)-N-[4-(4-ethoxyphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 70978966
N-[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide
CID 123684252
(E)-3-(2,3-dichlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 55334572
(E)-N-[4-(cyanomethyl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 38072631
(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 1106549
(E)-N-[4-(1H-indol-7-ylsulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 90407764
N-cyclopentyl-3-[4-(3-pyridin-3-ylprop-2-enoylamino)phenyl]sulfonylbenzamide
CID 70978965
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide
CID 74659842
(E)-N-[5-[4-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide
CID 155540057
3-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]prop-2-enamide
CID 1312196
2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 2937591

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of 3-pyridin-3-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide (CID 171152896) is 3-pyridin-3-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-pyridin-3-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for 3-pyridin-3-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide is O=C(C=Cc1cccnc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 3-pyridin-3-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is TUFVKUQBTCIMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3S/c24-17(9-4-14-3-1-10-19-13-14)22-15-5-7-16(8-6-15)27(25,26)23-18-20-11-2-12-21-18/h1-13H,(H,22,24)(H,20,21,23).
What are the key properties of 3-pyridin-3-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide?
3-pyridin-3-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 381.42 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 171152896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).