(Z)-2-chloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide

C21H19ClN4O5S — CID 6301502

IUPAC(Z)-2-chloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)/C(Cl)=C/c3ccccc3)cc2)nc(OC)n1
InChIInChI=1S/C21H19ClN4O5S/c1-30-19-13-18(24-21(25-19)31-2)26-32(28,29)16-10-8-15(9-11-16)23-20(27)17(22)12-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,23,27)(H,24,25,26)/b17-12-
InChIKeyFOALJDKHXRZEMO-ATVHPVEESA-N
MW474.93 g/mol
LogP3.51
Rot. Bonds8

About (Z)-2-chloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide

(Z)-2-chloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide (PubChem CID 6301502) has the molecular formula C21H19ClN4O5S and a molecular weight of 474.93 g/mol. Its IUPAC name is (Z)-2-chloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-chloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
PubChem CID6301502
Molecular FormulaC21H19ClN4O5S
Molecular Weight474.93 g/mol
Exact Mass474.08
IUPAC Name(Z)-2-chloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)/C(Cl)=C/c3ccccc3)cc2)nc(OC)n1
InChIInChI=1S/C21H19ClN4O5S/c1-30-19-13-18(24-21(25-19)31-2)26-32(28,29)16-10-8-15(9-11-16)23-20(27)17(22)12-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,23,27)(H,24,25,26)/b17-12-
InChIKeyFOALJDKHXRZEMO-ATVHPVEESA-N
XLogP3.51
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.93
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 1076758
N-[3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 3114470
N-[3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]anilino]-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
CID 3122774
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,2-dimethylpropanamide
CID 1040326
2,6-dichloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 1322982
1-(3,4-dichlorophenyl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea
CID 2206595
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 25047643
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 4630807
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 3643787
3-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 3635765
1-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-pyridin-4-ylthiourea
CID 134129947
1-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)thiourea
CID 4985480

Frequently Asked Questions

What is the IUPAC name of (Z)-2-chloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-2-chloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide (CID 6301502) is (Z)-2-chloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-2-chloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-2-chloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide is COc1cc(NS(=O)(=O)c2ccc(NC(=O)/C(Cl)=C/c3ccccc3)cc2)nc(OC)n1.
What is the InChIKey of (Z)-2-chloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide?
The InChIKey is FOALJDKHXRZEMO-ATVHPVEESA-N. The full InChI is InChI=1S/C21H19ClN4O5S/c1-30-19-13-18(24-21(25-19)31-2)26-32(28,29)16-10-8-15(9-11-16)23-20(27)17(22)12-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,23,27)(H,24,25,26)/b17-12-.
What are the key properties of (Z)-2-chloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide?
(Z)-2-chloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide has a molecular weight of 474.93 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 6301502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).