N-[4-[(E)-2-[3-tert-butyl-2-chloro-5-(2,4-dioxopyrimidin-1-yl)phenyl]ethenyl]phenyl]methanesulfonamide

C23H24ClN3O4S — CID 25234726

IUPACN-[4-[(E)-2-[3-tert-butyl-2-chloro-5-(2,4-dioxopyrimidin-1-yl)phenyl]ethenyl]phenyl]methanesulfonamide
SMILESCC(C)(C)c1cc(-n2ccc(=O)[nH]c2=O)cc(/C=C/c2ccc(NS(C)(=O)=O)cc2)c1Cl
InChIInChI=1S/C23H24ClN3O4S/c1-23(2,3)19-14-18(27-12-11-20(28)25-22(27)29)13-16(21(19)24)8-5-15-6-9-17(10-7-15)26-32(4,30)31/h5-14,26H,1-4H3,(H,25,28,29)/b8-5+
InChIKeyNQMWGEWHYNMNKP-VMPITWQZSA-N
MW473.98 g/mol
LogP4.02
Rot. Bonds5

About N-[4-[(E)-2-[3-tert-butyl-2-chloro-5-(2,4-dioxopyrimidin-1-yl)phenyl]ethenyl]phenyl]methanesulfonamide

N-[4-[(E)-2-[3-tert-butyl-2-chloro-5-(2,4-dioxopyrimidin-1-yl)phenyl]ethenyl]phenyl]methanesulfonamide (PubChem CID 25234726) has the molecular formula C23H24ClN3O4S and a molecular weight of 473.98 g/mol. Its IUPAC name is N-[4-[(E)-2-[3-tert-butyl-2-chloro-5-(2,4-dioxopyrimidin-1-yl)phenyl]ethenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(E)-2-[3-tert-butyl-2-chloro-5-(2,4-dioxopyrimidin-1-yl)phenyl]ethenyl]phenyl]methanesulfonamide
PubChem CID25234726
Molecular FormulaC23H24ClN3O4S
Molecular Weight473.98 g/mol
Exact Mass473.12
IUPAC NameN-[4-[(E)-2-[3-tert-butyl-2-chloro-5-(2,4-dioxopyrimidin-1-yl)phenyl]ethenyl]phenyl]methanesulfonamide
SMILESCC(C)(C)c1cc(-n2ccc(=O)[nH]c2=O)cc(/C=C/c2ccc(NS(C)(=O)=O)cc2)c1Cl
InChIInChI=1S/C23H24ClN3O4S/c1-23(2,3)19-14-18(27-12-11-20(28)25-22(27)29)13-16(21(19)24)8-5-15-6-9-17(10-7-15)26-32(4,30)31/h5-14,26H,1-4H3,(H,25,28,29)/b8-5+
InChIKeyNQMWGEWHYNMNKP-VMPITWQZSA-N
XLogP4.02
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.98
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 67066265
CID 67066265
N-[4-[2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamide;hydrate
CID 67066554
2-[2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]ethenyl]-5-(methanesulfonamido)benzamide
CID 67066553
N-[4-[(E)-2-[5-(2,4-dioxopyrimidin-1-yl)-3-(furan-2-yl)-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamide
CID 25234720
N-[4-[2-[5-(2,4-dioxopyrimidin-1-yl)-2-methoxy-3-pyridin-3-ylphenyl]ethenyl]phenyl]methanesulfonamide
CID 67066478
N-[4-[2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]ethenyl]-3-(1,3-oxazol-2-yl)phenyl]methanesulfonamide
CID 67066518
1-[3-tert-butyl-4-methoxy-5-(2-phenylethenyl)phenyl]pyrimidine-2,4-dione
CID 67066424
1-[3-tert-butyl-4-methoxy-5-[2-(4-nitrophenyl)ethenyl]phenyl]pyrimidine-2,4-dione
CID 67066440
N-[6-[3-tert-butyl-2-chloro-5-(2,4-dioxopyrimidin-1-yl)phenyl]naphthalen-2-yl]methanesulfinamide
CID 143780753
N-[4-[(E)-2-[3-tert-butyl-5-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamide
CID 46841292
potassium;N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide;[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl] methanesulfonate;methanesulfonamide;oxido-oxidooxy-oxophosphanium;potassiopotassium
CID 159122144
methyl 2-[2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]ethenyl]-5-nitrobenzoate
CID 67066448

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-[3-tert-butyl-2-chloro-5-(2,4-dioxopyrimidin-1-yl)phenyl]ethenyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(E)-2-[3-tert-butyl-2-chloro-5-(2,4-dioxopyrimidin-1-yl)phenyl]ethenyl]phenyl]methanesulfonamide (CID 25234726) is N-[4-[(E)-2-[3-tert-butyl-2-chloro-5-(2,4-dioxopyrimidin-1-yl)phenyl]ethenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(E)-2-[3-tert-butyl-2-chloro-5-(2,4-dioxopyrimidin-1-yl)phenyl]ethenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(E)-2-[3-tert-butyl-2-chloro-5-(2,4-dioxopyrimidin-1-yl)phenyl]ethenyl]phenyl]methanesulfonamide is CC(C)(C)c1cc(-n2ccc(=O)[nH]c2=O)cc(/C=C/c2ccc(NS(C)(=O)=O)cc2)c1Cl.
What is the InChIKey of N-[4-[(E)-2-[3-tert-butyl-2-chloro-5-(2,4-dioxopyrimidin-1-yl)phenyl]ethenyl]phenyl]methanesulfonamide?
The InChIKey is NQMWGEWHYNMNKP-VMPITWQZSA-N. The full InChI is InChI=1S/C23H24ClN3O4S/c1-23(2,3)19-14-18(27-12-11-20(28)25-22(27)29)13-16(21(19)24)8-5-15-6-9-17(10-7-15)26-32(4,30)31/h5-14,26H,1-4H3,(H,25,28,29)/b8-5+.
What are the key properties of N-[4-[(E)-2-[3-tert-butyl-2-chloro-5-(2,4-dioxopyrimidin-1-yl)phenyl]ethenyl]phenyl]methanesulfonamide?
N-[4-[(E)-2-[3-tert-butyl-2-chloro-5-(2,4-dioxopyrimidin-1-yl)phenyl]ethenyl]phenyl]methanesulfonamide has a molecular weight of 473.98 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-[3-tert-butyl-2-chloro-5-(2,4-dioxopyrimidin-1-yl)phenyl]ethenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 25234726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).